UCSF

ZINC20288897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 38 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) 3.23 7.93 -59.83 0 9 -1 101 521.59 10
Mid Mid (pH 6-8) 3.23 10.2 -74.08 1 9 0 102 522.598 10

Activity (Go SEA)

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