UCSF

ZINC41392250

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 12 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) 0.28 2.49 -33.39 2 4 1 51 176.236 6
Hi High (pH 8-9.5) 0.28 -0.07 -8.27 1 4 0 50 175.228 6

Activity (Go SEA)

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