UCSF

ZINC36883456

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) 2.20 5.73 -104.23 4 2 2 32 200.37 6
Hi High (pH 8-9.5) 2.20 5.35 -31.12 3 2 1 30 199.362 6
Hi High (pH 8-9.5) 2.20 3.74 -41.46 3 2 1 31 199.362 6

Activity (Go SEA)

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