UCSF

ZINC44516181

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) 1.38 0.51 -43.42 5 6 1 97 314.431 5
Hi High (pH 8-9.5) 1.38 1.28 -64.97 4 6 0 100 313.423 5

Activity (Go SEA)

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