UCSF

ZINC20286916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 30 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) 3.68 8 -25.84 1 7 0 72 427.574 8
Mid Mid (pH 6-8) 3.68 10.36 -76.59 2 7 1 73 428.582 8
Mid Mid (pH 6-8) 3.68 10.03 -65.51 2 7 1 73 428.582 8

Activity (Go SEA)

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