UCSF

ZINC19359875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 2.14 7.31 -37.23 1 3 1 21 274.432 3
Hi High (pH 8-9.5) 2.14 5.03 -4.01 0 3 0 19 273.424 3
Lo Low (pH 4.5-6) 2.14 7.69 -86.23 2 3 2 22 275.44 3

Activity (Go SEA)

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