UCSF

ZINC13564914

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 5.22 11.88 -10.51 1 6 0 75 350.422 4
Mid Mid (pH 6-8) 5.22 12.27 -37.14 2 6 1 76 351.43 4

Activity (Go SEA)

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