UCSF

ZINC33106384

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.78 5.62 -24.95 2 7 0 84 432.524 6
Mid Mid (pH 6-8) 2.78 7.97 -68.29 3 7 1 85 433.532 6

Activity (Go SEA)

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