UCSF

ZINC36785224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.13 9.27 -120.12 4 2 2 32 274.452 4
Hi High (pH 8-9.5) 3.13 7.46 -42.57 3 2 1 31 273.444 4
Hi High (pH 8-9.5) 3.13 8.99 -31.83 3 2 1 30 273.444 4

Activity (Go SEA)

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