UCSF

ZINC37489840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 13 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) 0.80 0.61 -3.68 1 3 0 33 185.267 1
Mid Mid (pH 6-8) 0.80 2.86 -29.02 2 3 1 34 186.275 1

Activity (Go SEA)

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