UCSF

ZINC00704475

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 22 No

Other Names:

MFCD01162453

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) 3.90 5.7 -14.43 2 5 0 74 423.064 2
Ref Reference (pH 7) 3.90 5.84 -11.23 2 5 0 74 423.064 2
Hi High (pH 8-9.5) 4.36 4.09 -42.29 1 5 -1 77 422.056 2
Hi High (pH 8-9.5) 4.36 3.78 -49.19 1 5 -1 77 422.056 2

Activity (Go SEA)

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