UCSF

ZINC13570899

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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 9.57 -15.94 1 5 0 66 365.408 4
Hi High (pH 8-9.5) 3.43 7.59 -48.88 0 5 -1 69 364.4 4

Activity (Go SEA)

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