UCSF

ZINC37079949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.18 6.35 -112.79 4 2 2 32 218.344 3
Hi High (pH 8-9.5) 0.18 3.96 -2.77 2 2 0 29 216.328 3
Mid Mid (pH 6-8) 0.18 6.05 -30.24 3 2 1 30 217.336 3
Mid Mid (pH 6-8) 0.18 4.25 -44.11 3 2 1 31 217.336 3

Activity (Go SEA)

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