UCSF

ZINC44107899

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.30 5.8 -34.43 2 3 1 35 238.351 9
Hi High (pH 8-9.5) 2.30 4.78 -3.55 1 3 0 30 237.343 9

Activity (Go SEA)

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