UCSF

ZINC44722600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.41 4.14 -36.56 3 4 1 46 238.355 5
Lo Low (pH 4.5-6) 0.41 5.24 -101.88 4 4 2 50 239.363 5
Lo Low (pH 4.5-6) 0.41 2.75 -39.29 3 4 1 49 238.355 5

Activity (Go SEA)

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