UCSF

ZINC44517470

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.85 9.73 -110.89 3 4 2 47 292.423 7
Hi High (pH 8-9.5) 2.85 8.5 -36.99 2 4 1 43 291.415 7

Activity (Go SEA)

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