UCSF

ZINC37808413

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.33 6.05 -47.34 3 4 1 72 260.361 5
Mid Mid (pH 6-8) 1.33 5.74 -10.79 2 4 0 70 259.353 5

Activity (Go SEA)

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