UCSF

ZINC37080153

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) 0.87 2.35 -36.98 2 2 1 20 143.254 5
Hi High (pH 8-9.5) 0.87 0.91 -1.11 1 2 0 15 142.246 5
Mid Mid (pH 6-8) 0.87 4.77 -102.76 3 2 2 21 144.262 5
Mid Mid (pH 6-8) 0.87 3.33 -28.5 2 2 1 16 143.254 5

Activity (Go SEA)

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