UCSF

ZINC19370668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 Yes

Other Names:

MFCD05881961

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) 1.57 2.64 -6.19 1 5 0 43 294.395 8
Mid Mid (pH 6-8) 1.57 4 -41.91 2 5 1 48 295.403 8
Lo Low (pH 4.5-6) 1.57 4.91 -37.68 2 5 1 44 295.403 8

Activity (Go SEA)

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