UCSF

ZINC04884637

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 2.33 6 -15.6 1 7 0 90 373.434 3
Mid Mid (pH 6-8) 2.33 6.03 -50.02 0 7 -1 92 372.426 3

Activity (Go SEA)

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