UCSF

ZINC43416405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 1.25 6.65 -10.49 0 3 0 51 207.321 7
Mid Mid (pH 6-8) 1.25 7.91 -50.53 1 3 1 52 208.329 7

Activity (Go SEA)

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