UCSF

ZINC23707353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 26 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 7.08 -43.98 2 6 1 61 357.43 7
Hi High (pH 8-9.5) 2.50 4.81 -13.65 1 6 0 60 356.422 7

Activity (Go SEA)

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