UCSF

ZINC09089622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 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) 4.34 8.36 -14.78 1 6 0 81 380.425 3
Ref Reference (pH 7) 5.27 7.1 -14.25 1 6 0 85 380.425 2

Activity (Go SEA)

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