UCSF

ZINC37799501

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -1.02 0.75 -50.99 4 7 1 96 294.331 5
Hi High (pH 8-9.5) -1.02 0.34 -14.59 3 7 0 94 293.323 5

Activity (Go SEA)

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