UCSF

ZINC36232629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 1.95 4.1 -37.58 2 3 1 29 227.372 3
Mid Mid (pH 6-8) 1.95 6.06 -109.09 3 3 2 30 228.38 3

Activity (Go SEA)

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