UCSF

ZINC22914787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 3.31 7.6 -38.57 2 5 1 50 383.299 5
Hi High (pH 8-9.5) 3.31 5.3 -11.68 1 5 0 49 382.291 5

Activity (Go SEA)

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