UCSF

ZINC32503592

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 26 No

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) 1.93 5.91 -20.68 0 6 0 76 394.518 5
Lo Low (pH 4.5-6) 1.93 6.82 -50.25 1 6 1 78 395.526 5

Activity (Go SEA)

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