UCSF

ZINC69847471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 Yes

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) 1.21 6.95 -72.55 2 5 2 35 276.384 4
Hi High (pH 8-9.5) 1.21 3.76 -10.45 0 5 0 33 274.368 4
Mid Mid (pH 6-8) 1.21 6.21 -38.17 1 5 1 34 275.376 4

Activity (Go SEA)

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