UCSF

ZINC01045266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 19 No

Other Names:

MFCD00026793

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) 3.96 7.32 -7.05 0 3 0 31 255.317 5
Lo Low (pH 4.5-6) 3.96 6.98 -36.93 1 3 1 32 256.325 5
Lo Low (pH 4.5-6) 3.96 7.68 -34.37 1 3 1 32 256.325 5

Activity (Go SEA)

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