UCSF

ZINC20451447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 2.83 7.51 -14.25 1 7 0 83 444.532 5
Hi High (pH 8-9.5) 2.89 6.59 -43.47 0 7 -1 89 443.524 5

Activity (Go SEA)

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