UCSF

ZINC37010555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 No

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) 1.64 7.37 -52.95 2 6 1 81 297.375 11
Hi High (pH 8-9.5) 1.64 6.17 -9.67 1 6 0 76 296.367 11

Activity (Go SEA)

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