UCSF

ZINC02772661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 28 No

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) 5.47 6.67 -12.05 3 5 0 86 388.448 3
Hi High (pH 8-9.5) 5.92 4.18 -51.98 2 5 -1 89 387.44 3
Hi High (pH 8-9.5) 5.92 4.85 -51.99 2 5 -1 89 387.44 3

Activity (Go SEA)

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