UCSF

ZINC45687026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.60 7.58 -47.04 2 3 1 43 305.167 7
Mid Mid (pH 6-8) 2.60 6.23 -6.52 1 3 0 38 304.159 7

Activity (Go SEA)

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