UCSF

ZINC06744659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 3.56 8.5 -11.18 2 6 0 82 416.868 4
Mid Mid (pH 6-8) 3.56 9.26 -50.22 1 6 -1 85 415.86 4

Activity (Go SEA)

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