UCSF

ZINC36875192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.17 6.58 -33.89 3 3 1 40 285.358 5
Mid Mid (pH 6-8) 1.17 6.99 -130.11 4 3 2 41 286.366 5

Activity (Go SEA)

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