UCSF

ZINC37979997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 2.31 7.48 -45.44 1 4 1 38 317.24 3
Mid Mid (pH 6-8) 2.31 5.59 -5.78 0 4 0 36 316.232 3

Activity (Go SEA)

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