UCSF

ZINC05015272

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 24 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) 2.93 5.85 -15.93 1 6 0 73 326.352 4
Hi High (pH 8-9.5) 2.93 6.98 -66.65 0 6 -1 76 325.344 4
Hi High (pH 8-9.5) 2.93 6.19 -60.14 0 6 -1 76 325.344 4

Activity (Go SEA)

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