UCSF

ZINC34613127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 35 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) 2.63 14.7 -15.89 0 6 0 55 477.58 7
Mid Mid (pH 6-8) 2.63 16.88 -60.11 1 6 1 56 478.588 7

Activity (Go SEA)

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