UCSF

ZINC40389867

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 29 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) 6.43 15.55 -49.9 1 4 1 31 394.583 13
Lo Low (pH 4.5-6) 6.43 16.2 -97.55 2 4 2 33 395.591 13

Activity (Go SEA)

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