UCSF

ZINC26740868

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 17 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) 3.27 9.69 -101.53 2 2 2 9 240.435 4
Mid Mid (pH 6-8) 3.27 7.16 -35.06 1 2 1 8 239.427 4

Activity (Go SEA)

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