UCSF

ZINC21810207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.69 6.23 -53.43 3 3 1 46 311.188 2
Mid Mid (pH 6-8) 3.69 6.01 -6.07 2 3 0 44 310.18 2

Activity (Go SEA)

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