UCSF

ZINC44721850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 0.75 4 -76.82 4 4 2 41 257.422 8
Hi High (pH 8-9.5) 0.75 1.73 -32.98 3 4 1 40 256.414 8
Mid Mid (pH 6-8) 0.75 2.92 -103.24 4 4 2 45 257.422 8
Mid Mid (pH 6-8) 0.75 0.64 -40.01 3 4 1 43 256.414 8

Activity (Go SEA)

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