UCSF

ZINC00282905

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Other Names:

MFCD01198826

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) 2.39 -0.97 -14.41 1 4 0 51 292.338 5
Lo Low (pH 4.5-6) 2.39 -0.86 -47.93 2 4 1 52 293.346 5

Activity (Go SEA)

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