UCSF

ZINC12032560

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 25 No

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) 5.40 9.67 -11.03 1 6 0 91 353.403 3
Hi High (pH 8-9.5) 5.86 7.15 -47.31 0 6 -1 94 352.395 3
Hi High (pH 8-9.5) 5.86 7.8 -46.76 0 6 -1 94 352.395 3
Mid Mid (pH 6-8) 4.91 9.54 -51.72 0 6 -1 90 352.395 4

Activity (Go SEA)

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