UCSF

ZINC09184952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 28 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) 4.88 11.17 -56.89 0 4 -1 60 433.281 4
Mid Mid (pH 6-8) 4.30 0.03 -8.63 0 4 0 54 434.289 4
Mid Mid (pH 6-8) 4.88 11.13 -9.54 1 4 0 58 434.289 4

Activity (Go SEA)

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