UCSF

ZINC62965804

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) 0.32 2.01 -30.82 2 3 1 20 198.334 2
Hi High (pH 8-9.5) 0.32 0.93 -37.46 2 3 1 23 198.334 2
Mid Mid (pH 6-8) 0.32 -0.41 -1.55 1 3 0 19 197.326 2
Mid Mid (pH 6-8) 0.32 3.32 -89.12 3 3 2 24 199.342 2
Mid Mid (pH 6-8) 0.32 4.39 -100.21 3 3 2 21 199.342 2

Activity (Go SEA)

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