UCSF

ZINC04567319

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 17 No

Other Names:

MFCD01464657

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) 4.67 6.26 -6.44 1 2 0 33 290.16 2
Ref Reference (pH 7) 4.67 5.73 -6.18 1 2 0 33 290.16 2
Hi High (pH 8-9.5) 4.67 7.09 -46.75 0 2 -1 35 289.152 2
Lo Low (pH 4.5-6) 4.67 6.2 -30.26 2 2 1 34 291.168 2

Activity (Go SEA)

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