UCSF

ZINC36884018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.66 2.81 -42.8 3 3 1 44 195.286 5
Mid Mid (pH 6-8) 0.66 4.19 -29.38 3 3 1 44 195.286 5

Activity (Go SEA)

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