UCSF

ZINC42186887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 3.24 7.15 -35.07 2 3 1 43 214.329 7
Mid Mid (pH 6-8) 3.24 5.97 -3.91 1 3 0 38 213.321 7

Activity (Go SEA)

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