UCSF

ZINC12605217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 28 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) 3.34 7.38 -18.54 1 6 0 76 402.516 5
Hi High (pH 8-9.5) 3.34 7.47 -58.44 0 6 -1 78 401.508 5

Activity (Go SEA)

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