UCSF

ZINC12462709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 27 No

Other Names:

MFCD00825663

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) 6.78 13.17 -9.53 0 3 0 28 377.557 3
Ref Reference (pH 7) 6.78 11.77 -13.27 0 3 0 28 377.557 3
Lo Low (pH 4.5-6) 6.78 12.23 -24.22 1 3 1 30 378.565 3
Lo Low (pH 4.5-6) 6.78 13.49 -22.63 1 3 1 30 378.565 3

Activity (Go SEA)

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