UCSF

ZINC11615561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 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) 1.80 -4.43 -14.77 1 6 0 78 300.361 5
Hi High (pH 8-9.5) 1.80 -3.87 -48.79 0 6 -1 80 299.353 5

Activity (Go SEA)

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