UCSF

ZINC42453635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.21 5.2 -25.32 3 4 1 56 237.371 5
Hi High (pH 8-9.5) 2.21 5.05 -8.38 2 4 0 55 236.363 5
Mid Mid (pH 6-8) 2.21 5.24 -22.41 3 4 1 56 237.371 5
Mid Mid (pH 6-8) 2.21 5.64 -103.44 4 4 2 58 238.379 5
Lo Low (pH 4.5-6) 2.21 5.58 -103 4 4 2 58 238.379 5

Activity (Go SEA)

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