UCSF

ZINC19864684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.03 -2.9 -6.09 2 4 0 47 216.325 4
Mid Mid (pH 6-8) 0.03 -0.61 -32.87 3 4 1 48 217.333 4
Mid Mid (pH 6-8) 0.03 -0.5 -30.84 3 4 1 48 217.333 4

Activity (Go SEA)

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