UCSF

ZINC08654222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2007 26 No

Other Names:

MFCD02955039

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) 5.53 7.55 -10.81 1 5 0 64 388.876 4
Hi High (pH 8-9.5) 5.53 7.81 -40.72 0 5 -1 67 387.868 4
Hi High (pH 8-9.5) 5.53 8.32 -41.6 0 5 -1 67 387.868 4

Activity (Go SEA)

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