UCSF

ZINC42857956

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 4.18 10.07 -35.06 2 2 1 16 287.471 5
Mid Mid (pH 6-8) 4.17 8.84 -40.54 2 2 1 20 287.471 5
Lo Low (pH 4.5-6) 4.18 11.3 -120.96 3 2 2 21 288.479 5

Activity (Go SEA)

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