UCSF

ZINC19868269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.38 5.65 -40.13 3 3 1 34 238.33 3
Mid Mid (pH 6-8) 2.38 3.27 -3.08 2 3 0 32 237.322 3

Activity (Go SEA)

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