UCSF

ZINC36161338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.57 3.44 -14.25 0 6 0 83 304.755 3
Mid Mid (pH 6-8) 1.57 5.55 -59.8 1 6 1 84 305.763 3

Activity (Go SEA)

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