UCSF

ZINC45662544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.09 7.02 -42.28 3 3 1 40 291.459 4
Lo Low (pH 4.5-6) 3.09 7.98 -114.83 4 3 2 41 292.467 4

Activity (Go SEA)

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