UCSF

ZINC37996781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 No

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) 2.28 7.14 -35.97 2 3 1 30 269.434 6
Mid Mid (pH 6-8) 2.28 6.1 -41 2 3 1 33 269.434 6
Lo Low (pH 4.5-6) 2.28 8.33 -106.38 3 3 2 34 270.442 6

Activity (Go SEA)

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