UCSF

ZINC00088891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Other Names:

MFCD01567718

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) 2.73 5.59 -53.24 0 5 -1 74 279.341 3
Lo Low (pH 4.5-6) 2.73 5.6 -12.94 1 5 0 72 280.349 3

Activity (Go SEA)

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