UCSF

ZINC40107495

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 20 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) 2.47 6.81 -53.25 2 3 1 34 293.284 7
Mid Mid (pH 6-8) 2.47 4.63 -13.62 1 3 0 32 292.276 7

Activity (Go SEA)

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