UCSF

ZINC12847267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 30 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) 4.94 9.79 -11.7 2 5 0 59 434.849 4
Hi High (pH 8-9.5) 5.18 7.39 -49.97 1 5 -1 69 433.841 4
Mid Mid (pH 6-8) 5.18 8.47 -28.95 2 5 0 70 434.849 4

Activity (Go SEA)

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