UCSF

ZINC44743748

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 21 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) 0.53 2.43 -42.63 2 7 1 76 296.395 6
Mid Mid (pH 6-8) 0.53 0.15 -10.99 1 7 0 74 295.387 6
Mid Mid (pH 6-8) 0.53 2.33 -42.74 2 7 1 76 296.395 6

Activity (Go SEA)

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