UCSF

ZINC29393126

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 28 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) 3.30 12.26 -142.46 0 5 -2 85 375.424 4
Mid Mid (pH 6-8) 3.30 11.1 -57.25 1 5 -1 82 376.432 4

Activity (Go SEA)

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