UCSF

ZINC09275002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 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) 5.83 14.93 -43.43 2 5 0 71 440.543 9
Hi High (pH 8-9.5) 5.83 13.58 -58.13 1 5 -1 66 439.535 9

Activity (Go SEA)

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