UCSF

ZINC34613166

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 1.70 12.04 -71.59 1 8 -1 104 458.51 7
Mid Mid (pH 6-8) 1.70 10.04 -19.33 2 8 0 101 459.518 7
Lo Low (pH 4.5-6) -1.04 8.82 -35.88 2 8 0 107 459.518 6

Activity (Go SEA)

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