UCSF

ZINC39645303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 28 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) 5.97 12.11 -44.27 2 4 1 56 380.508 9
Hi High (pH 8-9.5) 5.97 10.9 -8.17 1 4 0 51 379.5 9

Activity (Go SEA)

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