UCSF

ZINC21501123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 1.65 6.48 -84.15 3 3 2 31 195.31 5
Mid Mid (pH 6-8) 1.65 6.01 -39.66 2 3 1 29 194.302 5

Activity (Go SEA)

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