UCSF

ZINC36328352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 3.56 7.99 -129.25 4 2 2 32 262.441 4
Hi High (pH 8-9.5) 3.56 6.33 -44.7 3 2 1 31 261.433 4
Hi High (pH 8-9.5) 3.56 8.52 -29.53 3 2 1 30 261.433 4

Activity (Go SEA)

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