UCSF

ZINC08101190

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 40 No

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) -5.28 -11.47 -164.77 19 19 3 339 584.604 11
Mid Mid (pH 6-8) -5.28 -12.65 -95.76 18 19 2 335 583.596 11

Activity (Go SEA)

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