UCSF

ZINC04625454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 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) 1.84 5.86 -9.12 2 4 0 56 228.23 1
Mid Mid (pH 6-8) 1.84 6.3 -32.34 3 4 1 57 229.238 1

Activity (Go SEA)

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