UCSF

ZINC33582761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 1.05 8.78 -55.87 1 9 0 124 396.403 7
Hi High (pH 8-9.5) 1.05 6.27 -36.5 0 9 -1 122 395.395 7

Activity (Go SEA)

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