UCSF

ZINC19875559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) 1.46 6.26 -4.68 1 1 0 12 203.31 2
Mid Mid (pH 6-8) 1.46 7.17 -42.35 2 1 1 17 204.318 2

Activity (Go SEA)

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