UCSF

ZINC36829104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 0.11 -0.33 -13.9 2 6 0 90 272.326 3
Hi High (pH 8-9.5) 0.56 -2.13 -46.3 1 6 -1 94 271.318 3

Activity (Go SEA)

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