UCSF

ZINC32657253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 1.84 5.73 -19.15 1 6 0 72 325.368 5
Lo Low (pH 4.5-6) 1.84 6.11 -44.17 2 6 1 73 326.376 5

Activity (Go SEA)

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