UCSF

ZINC37824621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.90 -1.29 -16.69 5 6 0 110 277.324 4
Mid Mid (pH 6-8) -0.90 -0.99 -46.63 6 6 1 111 278.332 4

Activity (Go SEA)

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