UCSF

ZINC67881549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 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) 1.98 7.68 -40.05 2 5 1 63 330.433 5
Mid Mid (pH 6-8) 1.98 5.41 -15.12 1 5 0 62 329.425 5

Activity (Go SEA)

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