UCSF

ZINC04170174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 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) 2.69 7.15 -56.51 0 6 -1 83 386.811 5
Mid Mid (pH 6-8) 3.13 -1.49 -31.41 1 6 0 79 387.819 4
Mid Mid (pH 6-8) 2.10 -1.28 -22.95 0 6 0 76 387.819 5

Activity (Go SEA)

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