UCSF

ZINC20261722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 0.75 7.97 -105.9 4 3 2 47 257.381 2
Hi High (pH 8-9.5) 0.75 7.23 -5.28 2 3 0 44 255.365 2
Mid Mid (pH 6-8) 0.75 7.5 -47.79 3 3 1 45 256.373 2

Activity (Go SEA)

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