UCSF

ZINC36678165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 2.32 5.57 -113.02 5 4 2 59 280.391 5
Mid Mid (pH 6-8) 2.32 3.91 -38.34 4 4 1 58 279.383 5
Mid Mid (pH 6-8) -0.59 6.58 -33.8 5 4 1 59 279.383 5

Activity (Go SEA)

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