UCSF

ZINC20392706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 33 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) 2.70 7.45 -10.56 1 8 0 78 468.627 4
Mid Mid (pH 6-8) 2.70 9.71 -44.18 2 8 1 79 469.635 4

Activity (Go SEA)

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