UCSF

ZINC44686546

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.51 8.36 -37.96 2 2 1 20 271.428 5
Hi High (pH 8-9.5) 3.51 9.74 -32.7 2 2 1 16 271.428 5
Lo Low (pH 4.5-6) 3.51 10.83 -108.36 3 2 2 21 272.436 5

Activity (Go SEA)

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