UCSF

ZINC38596927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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) 3.38 8.48 -27.18 1 3 1 26 251.394 4
Ref Reference (pH 7) 3.38 8.52 -32.96 1 3 1 26 251.394 4
Mid Mid (pH 6-8) 3.38 7.54 -2.95 0 3 0 25 250.386 4
Mid Mid (pH 6-8) 3.39 6.34 -3.73 0 3 0 25 250.386 4

Activity (Go SEA)

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