UCSF

ZINC36697264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) 2.85 7.29 -118.63 4 2 2 32 240.435 2
Hi High (pH 8-9.5) 2.85 5.64 -41.2 3 2 1 31 239.427 2
Hi High (pH 8-9.5) 2.85 7.35 -27.22 3 2 1 30 239.427 2

Activity (Go SEA)

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