UCSF

ZINC42420153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.46 6.15 -85.87 2 5 0 77 254.33 3
Mid Mid (pH 6-8) 0.46 4.86 -58.57 1 5 -1 72 253.322 3
Lo Low (pH 4.5-6) 0.46 4.15 -55.69 3 5 1 74 255.338 3

Activity (Go SEA)

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