UCSF

ZINC33813983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.96 9.4 -50.56 0 11 -1 131 520.547 7
Lo Low (pH 4.5-6) 1.96 8.27 -28.17 1 11 0 128 521.555 7

Activity (Go SEA)

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