UCSF

ZINC09009976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 4.62 -1.41 -16.48 3 6 0 86 437.496 5
Lo Low (pH 4.5-6) 4.62 -1.3 -43.48 4 6 1 87 438.504 5

Activity (Go SEA)

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