UCSF

ZINC20096298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Other Names:

MFCD11852445

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) 4.71 9.83 -8.01 0 1 0 13 233.314 1
Lo Low (pH 4.5-6) 4.71 10.13 -25.96 1 1 1 14 234.322 1

Activity (Go SEA)

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