UCSF

ZINC36883980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 12 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) 0.75 2.83 -40.01 3 2 1 31 169.292 5
Mid Mid (pH 6-8) 0.75 4.82 -111.53 4 2 2 32 170.3 5
Mid Mid (pH 6-8) 0.75 4.47 -26.2 3 2 1 30 169.292 5

Activity (Go SEA)

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