UCSF

ZINC42946190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.12 3.25 -46.11 3 3 1 40 271.812 6
Mid Mid (pH 6-8) 2.12 5.09 -111.99 4 3 2 41 272.82 6

Activity (Go SEA)

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