UCSF

ZINC36828777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 1.68 1.33 -13.13 2 6 0 88 294.332 5
Mid Mid (pH 6-8) 1.68 1.59 -43.08 1 6 -1 90 293.324 5

Activity (Go SEA)

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