UCSF

ZINC44383786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 13 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) 2.30 8.01 -35.51 1 1 1 4 216.757 5
Mid Mid (pH 6-8) 2.30 5.92 -2.1 0 1 0 3 215.749 5

Activity (Go SEA)

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