UCSF

ZINC19784792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 15 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) 1.59 4.59 -42.28 2 3 1 34 210.297 5
Hi High (pH 8-9.5) 1.59 1.91 -4.78 1 3 0 33 209.289 5

Activity (Go SEA)

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