UCSF

ZINC23362070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.29 7.89 -16.05 1 4 0 55 275.377 5
Mid Mid (pH 6-8) 3.36 6.98 -46.85 0 4 -1 61 274.369 5

Activity (Go SEA)

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