UCSF

ZINC32187419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 2.50 7.73 -44.8 3 3 1 48 303.813 5
Mid Mid (pH 6-8) 2.50 7.34 -8.71 2 3 0 46 302.805 5

Activity (Go SEA)

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