UCSF

ZINC16741647

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 28 No

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) 2.44 4.02 -16.59 2 7 0 94 403.818 6
Mid Mid (pH 6-8) 1.86 4.7 -24.5 1 7 0 91 403.818 6

Activity (Go SEA)

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