UCSF

ZINC53157672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 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) 1.70 4.63 -5.7 0 2 0 20 209.676 2
Mid Mid (pH 6-8) 1.70 7.13 -46.72 1 2 1 22 210.684 2

Activity (Go SEA)

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