UCSF

ZINC34467599

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 20 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) 0.08 6 -302.74 8 4 4 66 288.524 0
Hi High (pH 8-9.5) 0.08 4.8 -185.39 7 4 3 62 287.516 0

Activity (Go SEA)

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