UCSF

ZINC37712847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) -0.26 -0.09 -43.29 4 3 1 53 186.304 4
Mid Mid (pH 6-8) -0.26 1.09 -112.04 5 3 2 57 187.312 4

Activity (Go SEA)

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