UCSF

ZINC41042539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) 1.15 4.47 -104.89 4 2 2 32 172.316 4
Hi High (pH 8-9.5) 1.15 4.08 -28.82 3 2 1 30 171.308 4
Hi High (pH 8-9.5) 1.15 2.61 -40.51 3 2 1 31 171.308 4

Activity (Go SEA)

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