UCSF

ZINC02049273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 32 No

Other Names:

MFCD01830563

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) 9.01 18.63 -6.87 0 2 0 25 424.632 12
Ref Reference (pH 7) 9.01 17.87 -7.57 0 2 0 25 424.632 12
Ref Reference (pH 7) 9.01 16.44 -7.85 0 2 0 25 424.632 12
Lo Low (pH 4.5-6) 9.01 18.22 -34.2 1 2 1 26 425.64 12
Lo Low (pH 4.5-6) 9.01 18.3 -36.85 1 2 1 26 425.64 12
Lo Low (pH 4.5-6) 9.01 16.86 -36.19 1 2 1 26 425.64 12
Lo Low (pH 4.5-6) 9.01 18.98 -34.08 1 2 1 26 425.64 12

Activity (Go SEA)

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