UCSF

ZINC34683503

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 5.16 11.8 -42.9 2 4 1 45 423.483 5
Hi High (pH 8-9.5) 5.16 12.49 -40.67 1 4 0 48 422.475 5

Activity (Go SEA)

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