UCSF

ZINC37082099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.60 1.81 -35.77 3 2 1 31 145.27 4
Hi High (pH 8-9.5) 0.60 1.29 -0.83 2 2 0 29 144.262 4
Mid Mid (pH 6-8) 0.60 3.49 -106.27 4 2 2 32 146.278 4
Mid Mid (pH 6-8) 0.60 3.41 -26.23 3 2 1 30 145.27 4

Activity (Go SEA)

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