UCSF

ZINC33701905

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 4.91 14.6 -72.76 1 5 0 65 454.998 9
Lo Low (pH 4.5-6) 4.91 13.32 -54.47 2 5 1 62 456.006 9

Activity (Go SEA)

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