UCSF

ZINC50889509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 2.79 7.13 -26.1 2 3 1 39 208.329 5
Mid Mid (pH 6-8) 2.79 6.73 -5.5 1 3 0 38 207.321 5

Activity (Go SEA)

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