UCSF

ZINC20521149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 0.62 2.55 -82.06 4 5 2 53 272.437 7
Hi High (pH 8-9.5) 0.62 1.38 -36.89 3 5 1 49 271.429 7
Hi High (pH 8-9.5) 0.62 1.19 -37.08 3 5 1 49 271.429 7
Lo Low (pH 4.5-6) 0.62 4.86 -175.96 5 5 3 55 273.445 7

Activity (Go SEA)

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