UCSF

ZINC01638998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) -1.22 -6.74 -20.33 4 8 0 118 236.235 4
Lo Low (pH 4.5-6) -1.22 -6.6 -39.87 5 8 1 120 237.243 4
Lo Low (pH 4.5-6) -1.22 -6.59 -42.12 5 8 1 120 237.243 4

Activity (Go SEA)

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