UCSF

ZINC21812849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 6.00 10.94 -46.97 2 1 1 17 350.096 4
Mid Mid (pH 6-8) 6.00 9.66 -4.69 1 1 0 12 349.088 4

Activity (Go SEA)

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