UCSF

ZINC41679866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 0.42 2.27 -43.59 3 4 1 57 215.317 2
Hi High (pH 8-9.5) 0.42 1.96 -5.84 2 4 0 56 214.309 2

Activity (Go SEA)

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