UCSF

ZINC43704932

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) -1.13 5.33 -55.4 1 6 0 74 244.291 5
Mid Mid (pH 6-8) -1.13 3.06 -52.32 0 6 -1 73 243.283 5

Activity (Go SEA)

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