UCSF

ZINC67603512

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 29 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) 4.26 12.96 -16.78 0 5 0 49 390.531 3
Mid Mid (pH 6-8) 4.26 13.28 -35.33 1 5 1 51 391.539 3

Activity (Go SEA)

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