UCSF

ZINC36207888

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.17 5.37 -13.79 2 7 0 88 443.569 12
Mid Mid (pH 6-8) 3.17 7.49 -53.48 3 7 1 89 444.577 12

Activity (Go SEA)

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