UCSF

ZINC42779738

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.59 6.55 -39.3 2 2 1 20 251.419 5
Hi High (pH 8-9.5) 2.59 7.31 -35.28 2 2 1 16 251.419 5
Mid Mid (pH 6-8) 2.59 8.61 -106.66 3 2 2 21 252.427 5

Activity (Go SEA)

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