UCSF

ZINC13545931

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 Yes

Other Names:

MFCD00005756

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) -0.99 -4.59 -12.64 5 9 0 140 307.31 2
Lo Low (pH 4.5-6) -0.99 -4.23 -36.5 6 9 1 141 308.318 2
Lo Low (pH 4.5-6) -0.99 -8.71 -33.56 6 9 1 141 308.318 2

Activity (Go SEA)

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