UCSF

ZINC13549746

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 5.79 11.57 -13.52 1 8 0 110 461.499 7
Mid Mid (pH 6-8) 5.30 11.97 -21.35 1 8 0 106 461.499 8

Activity (Go SEA)

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