UCSF

ZINC42447900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 2.20 7.07 -46.11 2 4 1 58 287.383 6
Mid Mid (pH 6-8) 2.20 5.24 -10.19 1 4 0 56 286.375 6

Activity (Go SEA)

Rings

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