UCSF

ZINC37081373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 No

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) 1.70 7.14 -26.14 1 3 1 22 214.72 3
Mid Mid (pH 6-8) 1.70 7.01 -5.06 0 3 0 21 213.712 3

Activity (Go SEA)

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