UCSF

ZINC44518325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 13 Yes

Other Names:

MFCD16155438

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) -1.12 5.53 -76.33 3 4 1 61 187.263 4
Hi High (pH 8-9.5) -1.12 4.3 -60.84 2 4 0 57 186.255 4

Activity (Go SEA)

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