UCSF

ZINC66146979

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 15 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) 2.50 7.95 -110.31 3 2 2 21 212.381 2
Hi High (pH 8-9.5) 2.50 6.74 -31.75 2 2 1 16 211.373 2
Hi High (pH 8-9.5) 2.50 6.06 -29.81 2 2 1 20 211.373 2

Activity (Go SEA)

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