UCSF

ZINC20555675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 20 Yes

Other Names:

MFCD13364586

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) 1.26 4.66 -57.83 0 6 -1 70 274.3 4
Mid Mid (pH 6-8) 1.26 7.06 -94.14 1 6 0 72 275.308 4
Mid Mid (pH 6-8) 1.26 5.11 -67.77 1 6 0 72 275.308 4
Lo Low (pH 4.5-6) 1.26 7.51 -131.73 2 6 1 73 276.316 4

Activity (Go SEA)

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