UCSF

ZINC04866579

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 19 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) -0.02 -5.71 -49.48 5 6 1 98 334.19 8

Activity (Go SEA)

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