UCSF

ZINC44649861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.77 6.22 -42.21 3 5 1 72 271.381 8
Hi High (pH 8-9.5) 1.77 4.87 -9.96 2 5 0 67 270.373 8

Activity (Go SEA)

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