UCSF

ZINC42555450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 1.49 6.06 -114.64 4 2 2 32 198.354 6
Mid Mid (pH 6-8) 1.49 4.45 -42.38 3 2 1 31 197.346 6
Mid Mid (pH 6-8) 1.49 5.65 -24.58 3 2 1 30 197.346 6

Activity (Go SEA)

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