UCSF

ZINC36896415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 1.05 6.6 -76.76 2 5 1 62 236.295 3
Mid Mid (pH 6-8) 1.05 4.38 -33.52 1 5 0 61 235.287 3

Activity (Go SEA)

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