UCSF

ZINC19727562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 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) 1.07 3.07 -32.32 2 3 1 28 199.318 2
Mid Mid (pH 6-8) 1.07 0.6 -3.52 1 3 0 27 198.31 2
Lo Low (pH 4.5-6) 1.07 2.68 -30.48 2 3 1 28 199.318 2

Activity (Go SEA)

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