UCSF

ZINC42763938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 24 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) 2.97 8.32 -35.41 2 5 1 51 335.516 8
Hi High (pH 8-9.5) 2.97 6.3 -8.88 1 5 0 50 334.508 8

Activity (Go SEA)

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