UCSF

ZINC20915126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 2.29 8.19 -40.6 2 5 1 59 314.409 5
Mid Mid (pH 6-8) 2.29 7.76 -11.03 1 5 0 58 313.401 5

Activity (Go SEA)

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