UCSF

ZINC44686346

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.21 7.36 -32.99 2 4 1 35 291.415 7
Hi High (pH 8-9.5) 2.21 4.94 -4.66 1 4 0 34 290.407 7
Lo Low (pH 4.5-6) 2.21 6.15 -38.43 2 4 1 38 291.415 7

Activity (Go SEA)

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