UCSF

ZINC13147728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 25 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) 4.30 9.17 -9.7 1 4 0 63 353.443 4
Hi High (pH 8-9.5) 4.76 8.59 -50.51 0 4 -1 66 352.435 4
Hi High (pH 8-9.5) 4.76 8.1 -46.11 0 4 -1 66 352.435 4
Mid Mid (pH 6-8) 5.37 7.75 -53.77 0 4 -1 66 352.435 4

Activity (Go SEA)

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