UCSF

ZINC32152302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.09 5.68 -12.73 1 5 0 54 271.32 4
Lo Low (pH 4.5-6) 2.09 5.95 -45.07 2 5 1 56 272.328 4

Activity (Go SEA)

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