UCSF

ZINC05683964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 13 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) 2.04 5.89 -8.72 1 3 0 42 173.219 1
Ref Reference (pH 7) 2.04 5.86 -6.94 1 3 0 42 173.219 1

Activity (Go SEA)

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