UCSF

ZINC32023145

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -1.98 1.54 -58.39 2 7 0 92 262.306 11
Mid Mid (pH 6-8) -1.98 -0.88 -45.42 1 7 -1 91 261.298 11

Activity (Go SEA)

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