UCSF

ZINC19477328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 0.84 4.3 -50.98 3 4 1 47 237.352 2
Mid Mid (pH 6-8) 0.84 1.83 -14.41 2 4 0 45 236.344 2

Activity (Go SEA)

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