UCSF

ZINC15321414

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 34 No

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) 2.45 7.48 -13.27 1 8 0 82 462.55 6
Mid Mid (pH 6-8) 2.45 9.68 -49.56 2 8 1 83 463.558 6
Mid Mid (pH 6-8) 2.45 9.67 -48.89 2 8 1 83 463.558 6

Activity (Go SEA)

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