UCSF

ZINC70975571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2011 19 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) -0.21 3.05 -99.53 4 5 2 56 270.421 5
Mid Mid (pH 6-8) -0.21 0.7 -53.01 3 5 1 54 269.413 5

Activity (Go SEA)

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