UCSF

ZINC35829222

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 3.29 11.14 -14.57 0 6 0 53 455.558 5
Mid Mid (pH 6-8) 3.29 13.35 -48.03 1 6 1 54 456.566 5

Activity (Go SEA)

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