UCSF

ZINC20433237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 14 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) -0.88 1.09 -19.83 2 4 0 50 215.322 3
Mid Mid (pH 6-8) -0.88 3.41 -55.18 3 4 1 51 216.33 3

Activity (Go SEA)

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