UCSF

ZINC35991248

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 35 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) 5.72 13.59 -10.08 1 8 0 88 485.625 11
Mid Mid (pH 6-8) 5.72 13.97 -39.96 2 8 1 89 486.633 11

Activity (Go SEA)

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