UCSF

ZINC52213020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) -1.78 4.21 -68.12 4 7 0 111 252.274 5
Mid Mid (pH 6-8) -1.78 3.7 -57.56 3 7 -1 110 251.266 5

Activity (Go SEA)

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