UCSF

ZINC34823038

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 20 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) 3.16 9.46 -45.43 2 3 1 33 270.4 5
Mid Mid (pH 6-8) 3.16 9.9 -93.21 3 3 2 34 271.408 5

Activity (Go SEA)

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