UCSF

ZINC33999550

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 28 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) 0.04 10.17 -67.75 1 6 0 74 419.934 6
Mid Mid (pH 6-8) 0.04 9.38 -52.08 2 6 1 71 420.942 6

Activity (Go SEA)

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