UCSF

ZINC52642946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 16 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) 0.93 1.23 -11.04 1 4 0 49 244.36 5
Mid Mid (pH 6-8) 0.93 3.51 -48.54 2 4 1 51 245.368 5

Activity (Go SEA)

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