UCSF

ZINC19224677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 27 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) 3.34 9.95 -95.22 2 5 2 31 373.541 4
Mid Mid (pH 6-8) 3.34 7.57 -35.34 1 5 1 29 372.533 4

Activity (Go SEA)

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