UCSF

ZINC49938219

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 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) 2.70 4.86 -37.31 2 3 1 29 302.236 7
Hi High (pH 8-9.5) 2.70 3.47 -3.06 1 3 0 24 301.228 7
Mid Mid (pH 6-8) 2.70 5.79 -33.84 2 3 1 26 302.236 7

Activity (Go SEA)

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