UCSF

ZINC44518030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) -0.49 -0.8 -44.56 3 5 1 71 263.383 3
Mid Mid (pH 6-8) -0.49 0.32 -113.55 4 5 2 75 264.391 3

Activity (Go SEA)

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