UCSF

ZINC12582046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 3.63 8.72 -18.37 1 7 0 84 446.617 8
Lo Low (pH 4.5-6) 3.63 9.11 -43.28 2 7 1 86 447.625 8

Activity (Go SEA)

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