UCSF

ZINC53437959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 3.69 8.58 -40.13 2 2 1 20 334.281 7
Hi High (pH 8-9.5) 3.69 9.39 -33.65 2 2 1 16 334.281 7
Lo Low (pH 4.5-6) 3.69 10.74 -117.15 3 2 2 21 335.289 7

Activity (Go SEA)

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