UCSF

ZINC60701091

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 17 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) 4.62 8.44 -33 2 2 1 29 235.395 8
Hi High (pH 8-9.5) 4.62 7.53 -3 1 2 0 25 234.387 8
Lo Low (pH 4.5-6) 4.62 8.02 -28.41 2 2 1 26 235.395 8

Activity (Go SEA)

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