UCSF

ZINC36746479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -1.29 -0.94 -46.32 4 5 1 75 218.302 4
Mid Mid (pH 6-8) -1.29 -2.15 -14.26 3 5 0 70 217.294 4

Activity (Go SEA)

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