UCSF

ZINC30300701

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 26 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) 2.89 7.52 -16.04 1 5 0 62 360.339 5
Hi High (pH 8-9.5) 2.89 7.36 -40.6 0 5 -1 60 359.331 5

Activity (Go SEA)

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