UCSF

ZINC12758817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 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) 3.02 6.32 -49.63 3 7 1 89 432.566 7
Hi High (pH 8-9.5) 3.02 6.43 -75 2 7 0 91 431.558 7

Activity (Go SEA)

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