UCSF

ZINC44685392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 2.24 6.24 -29.84 2 2 1 16 197.346 5
Hi High (pH 8-9.5) 2.24 3.96 -0.67 1 2 0 15 196.338 5
Lo Low (pH 4.5-6) 2.24 7.31 -104.8 3 2 2 21 198.354 5
Lo Low (pH 4.5-6) 2.24 5.01 -36.94 2 2 1 20 197.346 5

Activity (Go SEA)

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