UCSF

ZINC55575672

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 23 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) 2.06 9.52 -33.66 1 5 1 49 314.409 7
Mid Mid (pH 6-8) 2.06 9.17 -11.81 0 5 0 47 313.401 7

Activity (Go SEA)

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