UCSF

ZINC40777510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 16 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) 2.15 3.9 -37.21 3 4 1 63 232.344 8
Mid Mid (pH 6-8) 2.15 2.92 -5.97 2 4 0 59 231.336 8

Activity (Go SEA)

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