UCSF

ZINC33723960

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 3.61 12.23 -55.16 1 7 0 87 465.594 13
Lo Low (pH 4.5-6) 3.61 11.1 -50.11 2 7 1 84 466.602 13

Activity (Go SEA)

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