UCSF

ZINC45653961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.50 6.85 -83.5 3 5 2 43 292.427 4
Hi High (pH 8-9.5) 2.50 6.5 -38.67 2 5 1 42 291.419 4
Hi High (pH 8-9.5) 2.50 4.45 -28.83 2 5 1 42 291.419 4

Activity (Go SEA)

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