UCSF

ZINC06459353

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 17 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) 2.94 5.57 -11.67 1 4 0 55 232.283 3
Hi High (pH 8-9.5) 2.95 6.72 -62.28 0 4 -1 57 231.275 3
Hi High (pH 8-9.5) 2.95 5.88 -55.12 0 4 -1 57 231.275 3

Activity (Go SEA)

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