UCSF

ZINC20412511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 21 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) 1.98 5.33 -53.26 2 5 1 58 289.355 2
Mid Mid (pH 6-8) 1.98 5.2 -58.06 2 5 1 58 289.355 2
Mid Mid (pH 6-8) 1.98 2.86 -15.11 1 5 0 57 288.347 2

Activity (Go SEA)

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

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