UCSF

ZINC06752817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 27 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) 2.84 5.69 -19.03 2 6 0 78 367.38 5
Mid Mid (pH 6-8) 2.84 6.45 -59.72 1 6 -1 81 366.372 5

Activity (Go SEA)

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