UCSF

ZINC34830121

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.66 17.9 -56.77 1 5 1 45 530.758 8
Mid Mid (pH 6-8) 5.66 16.11 -16.25 0 5 0 44 529.75 8

Activity (Go SEA)

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