UCSF

ZINC11914452

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 30 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) 2.83 -1.86 -13.1 2 6 0 87 411.429 9
Mid Mid (pH 6-8) 2.25 -1.97 -19.43 1 6 0 84 411.429 9

Activity (Go SEA)

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