UCSF

ZINC09114967

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 3.50 0.16 -25.24 1 8 0 86 434.496 9
Lo Low (pH 4.5-6) 3.50 0.27 -58.23 2 8 1 88 435.504 9

Activity (Go SEA)

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