UCSF

ZINC40863702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 1.75 4.64 -25.25 2 3 1 38 207.297 3
Mid Mid (pH 6-8) 1.75 3.99 -7.11 1 3 0 36 206.289 3

Activity (Go SEA)

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