UCSF

ZINC19685197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 1.73 1.65 -38.07 3 4 1 43 284.811 5
Hi High (pH 8-9.5) 1.73 0.15 -3.87 2 4 0 39 283.803 5
Mid Mid (pH 6-8) 1.73 4.04 -109.43 4 4 2 45 285.819 5

Activity (Go SEA)

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