UCSF

ZINC32296537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 33 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) 7.46 14.81 -54.55 0 3 -1 57 453.687 7
Lo Low (pH 4.5-6) 7.46 13.69 -10.79 1 3 0 54 454.695 7

Activity (Go SEA)

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