UCSF

ZINC32007987

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.36 4.22 -10.47 2 3 0 44 187.246 1
Lo Low (pH 4.5-6) 1.36 4.31 -26.83 3 3 1 45 188.254 1

Activity (Go SEA)

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