UCSF

ZINC20898945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 1.23 4.84 -14.38 3 6 0 79 381.255 1
Mid Mid (pH 6-8) 1.69 3.79 -50.43 2 6 -1 82 380.247 1

Activity (Go SEA)

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