UCSF

ZINC36988419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.08 9.42 -126.65 4 2 2 32 274.452 2
Hi High (pH 8-9.5) 3.08 9.15 -32.54 3 2 1 30 273.444 2
Hi High (pH 8-9.5) 3.08 7.45 -43.41 3 2 1 31 273.444 2

Activity (Go SEA)

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