UCSF

ZINC44725219

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 Yes

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) -1.75 -3.93 -40.5 4 5 1 76 194.251 9
Hi High (pH 8-9.5) -1.75 -5.27 -7.87 3 5 0 71 193.243 9

Activity (Go SEA)

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