UCSF

ZINC44513607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.65 5.56 -106.96 5 5 2 74 319.236 4
Hi High (pH 8-9.5) 1.65 3.38 -49.69 4 5 1 73 318.228 4
Mid Mid (pH 6-8) 1.46 4.93 -86 4 5 1 80 318.228 4

Activity (Go SEA)

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