UCSF

ZINC19986190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 2.89 8.1 -47.78 3 1 1 28 374.071 3
Mid Mid (pH 6-8) 2.89 7.78 -4.33 2 1 0 26 373.063 3

Activity (Go SEA)

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