UCSF

ZINC65494565

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 19 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) 0.79 5.16 -47.07 2 5 1 51 265.381 4
Mid Mid (pH 6-8) 0.79 3.16 -11.53 1 5 0 50 264.373 4

Activity (Go SEA)

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