UCSF

ZINC33828235

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.37 5.14 -16.67 1 8 0 88 437.294 7
Mid Mid (pH 6-8) 1.37 7.48 -51.13 2 8 1 89 438.302 7

Activity (Go SEA)

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