UCSF

ZINC21669248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 4.44 8.99 -11.91 1 3 0 42 350.777 3
Hi High (pH 8-9.5) 4.51 7.92 -46.95 0 3 -1 48 349.769 3

Activity (Go SEA)

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