UCSF

ZINC65525599

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 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) 1.77 3.54 -48.61 3 6 1 80 346.517 6
Mid Mid (pH 6-8) 1.77 1.56 -14.68 2 6 0 79 345.509 6

Activity (Go SEA)

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