UCSF

ZINC32561863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 22 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) 1.50 8.89 -11.98 0 5 0 49 296.374 3
Lo Low (pH 4.5-6) 1.50 9.24 -43.26 1 5 1 51 297.382 3

Activity (Go SEA)

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