UCSF

ZINC32904307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 1.03 4.97 -26.03 2 6 0 84 324.384 4
Lo Low (pH 4.5-6) 1.03 5.41 -51.42 3 6 1 85 325.392 4

Activity (Go SEA)

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