UCSF

ZINC42832672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 32 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) 4.57 10.84 -45.92 3 5 1 58 434.604 7
Lo Low (pH 4.5-6) 4.57 11.97 -127.42 4 5 2 63 435.612 7

Activity (Go SEA)

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