UCSF

ZINC12402648

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 4.51 9.8 -11.18 1 6 0 76 440.462 7
Hi High (pH 8-9.5) 4.58 7.89 -47.38 0 6 -1 82 439.454 7

Activity (Go SEA)

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