UCSF

ZINC40474017

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 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) 1.46 5.09 -14.63 0 5 0 50 256.346 6
Mid Mid (pH 6-8) 1.46 7.28 -44.71 1 5 1 51 257.354 6

Activity (Go SEA)

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