UCSF

ZINC04172476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 6.00 13.02 -15.82 1 3 0 29 349.522 5
Mid Mid (pH 6-8) 6.00 13.45 -26.68 2 3 1 31 350.53 5

Activity (Go SEA)

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