UCSF

ZINC42455321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 2.56 9 -56.56 1 4 1 61 258.345 7
Mid Mid (pH 6-8) 2.56 6.94 -10.04 0 4 0 60 257.337 7

Activity (Go SEA)

Rings

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