UCSF

ZINC25579522

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 33 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) 3.57 5.48 -51.87 2 8 -1 116 490.92 7
Mid Mid (pH 6-8) 3.57 5.42 -22.37 3 8 0 114 491.928 7

Activity (Go SEA)

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