UCSF

ZINC36668275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.85 10.47 -110.57 3 2 2 21 345.3 6
Hi High (pH 8-9.5) 3.85 8.22 -42.82 2 2 1 20 344.292 6
Hi High (pH 8-9.5) 3.85 9.1 -35.7 2 2 1 16 344.292 6

Activity (Go SEA)

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