UCSF

ZINC23908383

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 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) 3.53 12.13 -11.57 0 5 0 40 426.564 5
Mid Mid (pH 6-8) 3.53 13.71 -48.13 1 5 1 41 427.572 5

Activity (Go SEA)

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