UCSF

ZINC37338478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.03 6.2 -8.33 0 3 0 30 247.338 5
Mid Mid (pH 6-8) 2.03 8.4 -43.19 1 3 1 31 248.346 5

Activity (Go SEA)

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