UCSF

ZINC19812262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 1.16 2.28 -53.77 4 4 1 66 235.307 3
Hi High (pH 8-9.5) 1.16 1.89 -8.16 3 4 0 64 234.299 3

Activity (Go SEA)

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