UCSF

ZINC19266507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 14 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) 1.42 3.08 -44.75 3 3 1 44 197.302 6
Mid Mid (pH 6-8) 1.42 5.03 -126.01 4 3 2 45 198.31 6
Mid Mid (pH 6-8) 1.42 4.3 -33.04 3 3 1 44 197.302 6

Activity (Go SEA)

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