UCSF

ZINC43425615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.86 -0.04 -5.98 3 5 0 71 227.308 3
Mid Mid (pH 6-8) 0.86 2.12 -40.4 4 5 1 72 228.316 3

Activity (Go SEA)

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