UCSF

ZINC43410939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.85 4.52 -14.44 4 5 0 80 306.435 5
Mid Mid (pH 6-8) 1.85 4.83 -41.57 5 5 1 81 307.443 5

Activity (Go SEA)

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