UCSF

ZINC04901661

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 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) 2.90 -1.14 -12.05 2 5 0 79 311.337 4
Mid Mid (pH 6-8) 2.32 -1.32 -18.56 1 5 0 76 311.337 4

Activity (Go SEA)

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