UCSF

ZINC12434441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 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) 2.63 11.91 -44.53 1 6 1 64 402.559 9
Lo Low (pH 4.5-6) 2.63 1.84 -89.46 2 6 2 65 403.567 9

Activity (Go SEA)

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