UCSF

ZINC23563295

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 31 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) 3.59 10.37 -14.82 0 7 0 67 476.697 8
Mid Mid (pH 6-8) 3.59 12.65 -51.66 1 7 1 68 477.705 8

Activity (Go SEA)

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