UCSF

ZINC20114577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 1.04 6.07 -11.51 1 5 0 71 302.384 2
Mid Mid (pH 6-8) 1.04 5.94 -106.89 3 5 2 74 304.4 2

Activity (Go SEA)

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