UCSF

ZINC12538768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 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) 2.99 6.96 -52.35 3 5 1 64 324.404 7
Hi High (pH 8-9.5) 2.99 6.37 -10.53 2 5 0 59 323.396 7

Activity (Go SEA)

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