UCSF

ZINC44264864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 3.18 6.86 -10.63 1 3 0 42 285.175 1
Hi High (pH 8-9.5) 3.18 6.51 -37.88 0 3 -1 40 284.167 1

Activity (Go SEA)

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