UCSF

ZINC33375241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 37 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) 4.94 13.11 -50.02 1 7 0 83 504.627 14
Hi High (pH 8-9.5) 4.94 10.8 -40.06 0 7 -1 82 503.619 14
Lo Low (pH 4.5-6) 4.94 11.96 -51.42 2 7 1 81 505.635 14

Activity (Go SEA)

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