UCSF

ZINC22919605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 36 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) 2.12 10.23 -58.65 2 9 1 84 489.6 7
Hi High (pH 8-9.5) 2.12 8 -22.56 1 9 0 83 488.592 7
Hi High (pH 8-9.5) 2.12 10.24 -55.63 2 9 1 84 489.6 7

Activity (Go SEA)

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