UCSF

ZINC45691097

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 2.05 1.35 -36.72 4 4 1 60 253.366 7
Mid Mid (pH 6-8) 2.05 3.09 -33.02 4 4 1 57 253.366 7
Lo Low (pH 4.5-6) 2.05 2.79 -112.88 5 4 2 61 254.374 7

Activity (Go SEA)

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