UCSF

ZINC37095911

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) 1.19 2.61 -27.29 3 3 1 34 228.404 5
Hi High (pH 8-9.5) 1.19 3.6 -34.68 3 3 1 34 228.404 5
Mid Mid (pH 6-8) 1.19 5.01 -90.95 4 3 2 35 229.412 5
Mid Mid (pH 6-8) 1.19 2.95 -115.11 4 3 2 35 229.412 5

Activity (Go SEA)

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