UCSF

ZINC36866961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.91 5.22 -104.81 4 2 2 32 212.362 3
Hi High (pH 8-9.5) 0.91 4.84 -34.25 3 2 1 30 211.354 3
Hi High (pH 8-9.5) 0.91 2.98 -44.6 3 2 1 31 211.354 3

Activity (Go SEA)

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