UCSF

ZINC36874227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.81 8.97 -48.38 3 3 1 45 284.427 4
Mid Mid (pH 6-8) 2.81 9.39 -97.5 4 3 2 47 285.435 4

Activity (Go SEA)

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