UCSF

ZINC34549653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 3.38 7.32 -42.2 2 3 1 34 282.363 2
Mid Mid (pH 6-8) 3.38 4.9 -5.65 1 3 0 33 281.355 2

Activity (Go SEA)

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