UCSF

ZINC37039665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -1.72 0.23 -92.45 4 6 2 59 271.409 4
Mid Mid (pH 6-8) -1.72 -2.12 -48.6 3 6 1 58 270.401 4
Mid Mid (pH 6-8) -1.72 2.42 -163.27 5 6 3 60 272.417 4
Lo Low (pH 4.5-6) -1.72 2.51 -175.03 5 6 3 60 272.417 4

Activity (Go SEA)

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