UCSF

ZINC03320623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 31 Yes

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) 4.38 -5 -19.16 2 8 0 118 463.581 7
Hi High (pH 8-9.5) 4.38 -4.42 -51.97 1 8 -1 120 462.573 7
Hi High (pH 8-9.5) 4.38 -4.44 -51.47 1 8 -1 120 462.573 7
Hi High (pH 8-9.5) 4.38 -3.87 -105.87 0 8 -2 122 461.565 7

Activity (Go SEA)

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