UCSF

ZINC19888984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.94 8.87 -80.5 2 3 2 12 281.488 3
Hi High (pH 8-9.5) 2.94 6.32 -34.77 1 3 1 11 280.48 3
Mid Mid (pH 6-8) 2.94 8.56 -103.04 2 3 2 12 281.488 3

Activity (Go SEA)

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