UCSF

ZINC31911240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.10 5.08 -50.42 3 3 1 45 188.254 2
Hi High (pH 8-9.5) -0.10 4.77 -9.5 2 3 0 43 187.246 2
Mid Mid (pH 6-8) -0.10 5.52 -101.95 4 3 2 46 189.262 2

Activity (Go SEA)

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