UCSF

ZINC24842316

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 22 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) 3.75 7.54 -46.48 3 4 1 49 367.311 6
Hi High (pH 8-9.5) 3.75 5.46 -11.89 2 4 0 48 366.303 6

Activity (Go SEA)

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