UCSF

ZINC19637076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 0.02 1.63 -7.45 0 4 0 27 225.336 1
Mid Mid (pH 6-8) 0.02 4.06 -44.21 1 4 1 28 226.344 1
Lo Low (pH 4.5-6) 0.02 3.85 -44.73 1 4 1 28 226.344 1

Activity (Go SEA)

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