UCSF

ZINC00703580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Other Names:

MFCD02130079

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) 3.36 9.72 -10.39 2 7 0 85 366.812 3
Lo Low (pH 4.5-6) 3.54 9.81 -37.4 3 7 1 90 367.82 3

Activity (Go SEA)

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