UCSF

ZINC45691993

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 1.09 7.52 -30.38 2 4 1 34 265.425 6
Mid Mid (pH 6-8) 1.09 7.49 -108.7 3 4 2 39 266.433 6
Mid Mid (pH 6-8) 1.09 5.74 -34.16 2 4 1 38 265.425 6
Lo Low (pH 4.5-6) 1.09 7.69 -81.75 3 4 2 36 266.433 6

Activity (Go SEA)

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