UCSF

ZINC42289226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 1.24 2 -7.96 1 5 0 51 293.363 3
Mid Mid (pH 6-8) 1.24 4.3 -42.5 2 5 1 52 294.371 3

Activity (Go SEA)

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