UCSF

ZINC32500657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

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 7.85 -41.63 1 4 1 20 332.512 5
Lo Low (pH 4.5-6) 3.24 9.44 -105.37 2 4 2 21 333.52 5

Activity (Go SEA)

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