UCSF

ZINC31990393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 1.13 4.95 -10.23 1 3 0 61 175.187 3
Mid Mid (pH 6-8) 1.13 5.8 -48.68 0 3 -1 64 174.179 3

Activity (Go SEA)

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