UCSF

ZINC20322955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 3.45 8.74 -35.64 1 3 1 17 285.411 5
Hi High (pH 8-9.5) 3.45 6.43 -5.53 0 3 0 16 284.403 5
Mid Mid (pH 6-8) 3.45 8.8 -37.31 1 3 1 17 285.411 5

Activity (Go SEA)

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