UCSF

ZINC31961132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.20 0.91 -55.27 5 5 1 82 223.3 6
Mid Mid (pH 6-8) 0.20 1.38 -96.2 6 5 2 83 224.308 6

Activity (Go SEA)

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