UCSF

ZINC25064485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 23 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 4.82 -12.19 2 6 0 74 318.421 5
Mid Mid (pH 6-8) 1.65 5.12 -34.69 3 6 1 76 319.429 5

Activity (Go SEA)

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