UCSF

ZINC31911550

Substance Information

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

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.31 5.03 -50.78 3 3 1 45 190.27 2
Hi High (pH 8-9.5) 0.31 4.72 -8.76 2 3 0 43 189.262 2
Mid Mid (pH 6-8) 0.31 5.49 -103.3 4 3 2 46 191.278 2
Mid Mid (pH 6-8) 0.31 5.25 -24.77 3 3 1 45 190.27 2

Activity (Go SEA)

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