UCSF

ZINC53517344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 20 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) 2.88 6.45 -11.12 1 3 0 32 269.323 4
Mid Mid (pH 6-8) 2.88 7.5 -30.71 2 3 1 33 270.331 4
Lo Low (pH 4.5-6) 2.88 9.71 -117.92 3 3 2 34 271.339 4

Activity (Go SEA)

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