UCSF

ZINC42440410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 2.14 4.19 -40.05 3 2 1 31 272.21 4
Mid Mid (pH 6-8) 2.14 5.64 -31.35 3 2 1 30 272.21 4
Mid Mid (pH 6-8) 2.14 6.1 -117.76 4 2 2 32 273.218 4

Activity (Go SEA)

Rings

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