UCSF

ZINC42452676

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.04 1.84 -6.9 3 4 0 62 195.266 5
Mid Mid (pH 6-8) 1.04 2.16 -23.38 4 4 1 64 196.274 5

Activity (Go SEA)

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