UCSF

ZINC12064375

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 31 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) 4.89 2.28 -14.09 0 5 0 63 428.513 3
Lo Low (pH 4.5-6) 4.89 2.44 -32.11 1 5 1 65 429.521 3

Activity (Go SEA)

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