UCSF

ZINC40631582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 15 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) 0.75 3.42 -36.23 2 4 1 46 215.317 4
Mid Mid (pH 6-8) 0.75 2.03 -6.67 1 4 0 42 214.309 4

Activity (Go SEA)

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