UCSF

ZINC05687320

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 1.49 3.85 -18.95 3 8 0 108 334.339 3
Hi High (pH 8-9.5) 1.94 1.92 -57.83 2 8 -1 111 333.331 3
Mid Mid (pH 6-8) 1.31 3.96 -37.76 4 8 1 106 335.347 4

Activity (Go SEA)

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