UCSF

ZINC37988654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 3.04 7.18 -31.54 2 2 1 26 275.199 5
Hi High (pH 8-9.5) 3.04 5.82 -3.61 1 2 0 21 274.191 5

Activity (Go SEA)

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