UCSF

ZINC37799369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -0.76 -2.96 -41.89 6 7 1 120 245.303 7
Hi High (pH 8-9.5) -0.76 -3.29 -19.3 5 7 0 119 244.295 7

Activity (Go SEA)

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