UCSF

ZINC32389212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 5.00 13.99 -11.77 0 6 0 54 463.651 8
Lo Low (pH 4.5-6) 5.00 15.97 -47.96 1 6 1 55 464.659 8

Activity (Go SEA)

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