UCSF

ZINC17044748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 23 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) 3.63 12.74 -13.14 0 4 0 43 302.381 2
Mid Mid (pH 6-8) 3.63 13.21 -26.22 1 4 1 44 303.389 2
Mid Mid (pH 6-8) 3.64 13.37 -26.46 2 4 1 48 303.389 2
Lo Low (pH 4.5-6) 3.63 13.06 -33.17 1 4 1 45 303.389 2

Activity (Go SEA)

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