UCSF

ZINC37784459

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) 3.28 7.39 -35.32 2 3 1 37 346.314 4
Hi High (pH 8-9.5) 3.28 6.37 -7.73 1 3 0 32 345.306 4

Activity (Go SEA)

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