UCSF

ZINC41572416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.30 4.23 -47.94 2 6 1 71 338.453 5
Mid Mid (pH 6-8) 1.30 2.14 -11.2 1 6 0 70 337.445 5

Activity (Go SEA)

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