UCSF

ZINC20968100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 6.00 11.98 -40.75 2 4 1 35 400.027 16
Mid Mid (pH 6-8) 6.00 11.28 -51.44 2 4 1 38 400.027 16

Activity (Go SEA)

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