UCSF

ZINC32355005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2009 19 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) 0.09 1.69 -22.14 2 7 0 95 263.253 3
Mid Mid (pH 6-8) 0.55 -0.05 -61.53 1 7 -1 98 262.245 3

Activity (Go SEA)

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