UCSF

ZINC31946883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 0.04 5.08 -57.38 2 6 1 72 307.399 2
Mid Mid (pH 6-8) 0.04 3.71 -12.93 1 6 0 67 306.391 2

Activity (Go SEA)

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