UCSF

ZINC66116638

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 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) 2.20 5.3 -41.74 2 4 1 38 281.42 11
Mid Mid (pH 6-8) 2.20 7.38 -116.14 3 4 2 40 282.428 11
Mid Mid (pH 6-8) 2.20 6.03 -35.51 2 4 1 35 281.42 11

Activity (Go SEA)

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