UCSF

ZINC34864295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 3.77 7.16 -15.48 2 7 0 93 461.341 6
Hi High (pH 8-9.5) 3.95 5.29 -43.5 1 7 -1 100 460.333 6

Activity (Go SEA)

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