UCSF

ZINC16837658

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 4.02 6.67 -9.17 1 4 0 45 363.895 2
Hi High (pH 8-9.5) 4.09 5.68 -46.33 0 4 -1 52 362.887 2
Mid Mid (pH 6-8) 4.02 9.4 -47.96 2 4 1 46 364.903 2

Activity (Go SEA)

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