UCSF

ZINC11847649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 11 Yes

Other Names:

MFCD09261766

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) 0.64 4.28 -43.57 2 2 1 29 151.233 4
Lo Low (pH 4.5-6) 0.64 4.56 -90.19 3 2 2 31 152.241 4

Activity (Go SEA)

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