UCSF

ZINC09561575

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 33 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) 6.12 14.88 -10.02 0 4 0 36 455.627 2
Mid Mid (pH 6-8) 6.12 14.89 -46.03 1 4 1 38 456.635 2

Activity (Go SEA)

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