UCSF

ZINC12436953

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 24 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) 4.60 6.23 -38.99 1 5 -1 77 354.798 2
Hi High (pH 8-9.5) 6.00 2.52 -104.6 0 5 -2 84 353.79 1
Mid Mid (pH 6-8) 5.54 4.34 -43.14 1 5 -1 81 354.798 1
Mid Mid (pH 6-8) 5.05 4.28 -99.92 0 5 -2 80 353.79 2
Mid Mid (pH 6-8) 5.54 4.48 -42.85 1 5 -1 81 354.798 1

Activity (Go SEA)

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