UCSF

ZINC33812657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 4.99 17.89 -75.4 1 7 1 75 530.784 11
Mid Mid (pH 6-8) 4.99 13.68 -17.03 0 7 0 74 529.776 11

Activity (Go SEA)

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