UCSF

ZINC04243974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

Other Names:

MFCD05625044

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) 2.13 5.89 -14.96 3 5 0 73 263.304 1
Mid Mid (pH 6-8) 2.13 6.29 -29.92 4 5 1 74 264.312 1
Lo Low (pH 4.5-6) 2.13 6.77 -81.58 5 5 2 75 265.32 1
Lo Low (pH 4.5-6) 2.13 6.27 -28.3 4 5 1 74 264.312 1

Activity (Go SEA)

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