UCSF

ZINC00290755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Other Names:

MFCD00578534

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) 4.26 -0.72 -11.77 1 3 0 41 317.175 2
Lo Low (pH 4.5-6) 4.26 -0.63 -40.56 2 3 1 43 318.183 2

Activity (Go SEA)

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