UCSF

ZINC32150116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.24 9.66 -50.24 0 4 -1 60 290.383 8
Lo Low (pH 4.5-6) 3.24 8.54 -10.03 1 4 0 58 291.391 8

Activity (Go SEA)

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