UCSF

ZINC08809609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 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) 6.59 2.52 -10.29 0 4 0 62 448.975 7
Lo Low (pH 4.5-6) 6.59 2.63 -43.37 1 4 1 64 449.983 7

Activity (Go SEA)

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