UCSF

ZINC41027929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 17 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) 0.90 1.91 -48.59 3 4 1 49 235.307 2
Mid Mid (pH 6-8) 0.90 4.14 -124.18 4 4 2 51 236.315 2

Activity (Go SEA)

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