UCSF

ZINC42451085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.26 4.23 -46.19 0 4 -1 53 214.285 4
Mid Mid (pH 6-8) 1.26 5.54 -36.51 1 4 0 54 215.293 4

Activity (Go SEA)

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