UCSF

ZINC34537002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 4.64 11.09 -48.66 4 5 1 69 412.941 6
Hi High (pH 8-9.5) 4.64 8.63 -13.1 3 5 0 68 411.933 6

Activity (Go SEA)

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