UCSF

ZINC15018367

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 32 No

Other Names:

MFCD01466265

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) 6.96 12.36 -13.43 1 5 0 64 444.556 5
Ref Reference (pH 7) 6.96 11.03 -12.77 1 5 0 64 444.556 5
Hi High (pH 8-9.5) 6.96 11.95 -51.16 0 5 -1 67 443.548 5
Hi High (pH 8-9.5) 6.96 13.28 -51.41 0 5 -1 67 443.548 5

Activity (Go SEA)

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