UCSF

ZINC39369352

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 13 Yes

Other Names:

MFCD01724737

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) 1.93 6.47 -29.88 1 3 1 31 188.291 6
Hi High (pH 8-9.5) 1.93 4.49 -4.51 0 3 0 30 187.283 6

Activity (Go SEA)

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