UCSF

ZINC40830946

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 16 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) -1.45 -3.27 -40.07 4 6 1 84 233.288 7
Hi High (pH 8-9.5) -1.45 -4.55 -11.21 3 6 0 80 232.28 7

Activity (Go SEA)

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