UCSF

ZINC37820352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.40 4.66 -45.36 3 5 1 74 266.365 5
Hi High (pH 8-9.5) 1.40 4.36 -11.62 2 5 0 72 265.357 5

Activity (Go SEA)

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