UCSF

ZINC45665429

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.94 1.18 -42.93 4 5 1 77 278.423 7
Lo Low (pH 4.5-6) 0.94 1.03 -99.86 5 5 2 78 279.431 7

Activity (Go SEA)

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