UCSF

ZINC44518162

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.80 6.22 -96.65 4 4 2 51 294.439 6
Hi High (pH 8-9.5) 1.80 4.8 -35.6 3 4 1 46 293.431 6

Activity (Go SEA)

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