UCSF

ZINC32150970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 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) 0.67 0.96 -7.91 3 4 0 64 192.218 0
Lo Low (pH 4.5-6) 0.67 0.82 -55.09 4 4 1 66 193.226 0

Activity (Go SEA)

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