UCSF

ZINC32199851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.54 0.09 -59.54 4 5 1 85 305.807 3
Hi High (pH 8-9.5) 0.54 -0.22 -10.1 3 5 0 84 304.799 3

Activity (Go SEA)

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