UCSF

ZINC32133849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.29 4.91 -46.05 1 3 -1 60 183.227 3
Lo Low (pH 4.5-6) 1.29 2.93 -7.88 2 3 0 58 184.235 3

Activity (Go SEA)

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