UCSF

ZINC33139651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 3.65 9.72 -13.93 1 6 0 58 431.536 4
Mid Mid (pH 6-8) 3.65 11.98 -52.58 2 6 1 59 432.544 4

Activity (Go SEA)

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