UCSF

ZINC02863555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 23 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) 1.41 2.48 -39.4 1 6 -1 82 323.254 4
Hi High (pH 8-9.5) 1.59 1.63 -42.48 1 6 -1 86 323.254 4
Lo Low (pH 4.5-6) 1.41 3.34 -13.14 2 6 0 80 324.262 4

Activity (Go SEA)

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

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