UCSF

ZINC59052984

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 22 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) -1.90 4.2 -60.36 1 8 1 82 311.362 3
Mid Mid (pH 6-8) -1.90 0.25 -14.79 0 8 0 81 310.354 3

Activity (Go SEA)

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