UCSF

ZINC40422060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 36 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) 7.23 16.74 -60.11 1 6 -1 87 482.604 11
Lo Low (pH 4.5-6) 7.23 16.99 -69.12 2 6 0 88 483.612 11

Activity (Go SEA)

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