UCSF

ZINC20007936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 1.25 3.32 -74.44 2 6 0 91 318.42 6
Mid Mid (pH 6-8) 1.25 2.92 -88.03 1 6 -1 93 317.412 6

Activity (Go SEA)

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