UCSF

ZINC69237979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 0.68 7.52 -33.2 3 2 1 30 231.363 4
Hi High (pH 8-9.5) 0.68 6.07 -1.47 2 2 0 29 230.355 4
Mid Mid (pH 6-8) 0.68 7.85 -121.66 4 2 2 32 232.371 4
Mid Mid (pH 6-8) 0.68 6.42 -35.58 3 2 1 31 231.363 4

Activity (Go SEA)

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