UCSF

ZINC19965731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 2.13 3.94 -6.84 0 4 0 36 274.151 1
Mid Mid (pH 6-8) 2.13 6.33 -39.52 1 4 1 38 275.159 1

Activity (Go SEA)

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