UCSF

ZINC19518033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 2.65 6.89 -47.68 4 3 1 57 269.368 5
Mid Mid (pH 6-8) 2.65 6.56 -9.4 3 3 0 55 268.36 5

Activity (Go SEA)

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