UCSF

ZINC20203696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) 2.07 9.55 -112.01 2 4 2 27 304.434 3
Hi High (pH 8-9.5) 2.07 4.91 -5.28 0 4 0 25 302.418 3
Mid Mid (pH 6-8) 2.07 7.37 -37.79 1 4 1 26 303.426 3

Activity (Go SEA)

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