UCSF

ZINC20759518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 6.19 -42.71 4 7 1 91 382.488 4
Hi High (pH 8-9.5) 1.35 5.74 -15.11 3 7 0 90 381.48 4
Hi High (pH 8-9.5) 1.35 5.72 -15.24 3 7 0 90 381.48 4
Mid Mid (pH 6-8) 1.35 6.92 -54.31 4 7 1 95 382.488 4
Mid Mid (pH 6-8) 1.35 6.93 -54.54 4 7 1 95 382.488 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.