UCSF

ZINC16731048

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.91 12.44 -41.24 0 7 -1 95 476.578 8
Mid Mid (pH 6-8) 5.36 11.02 -24.94 1 7 0 93 477.586 7
Mid Mid (pH 6-8) 4.33 12 -16.64 0 7 0 89 477.586 8

Activity (Go SEA)

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