UCSF

ZINC37108993

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) 2.34 7.07 -35.7 1 2 1 17 233.788 5
Mid Mid (pH 6-8) 2.34 5.02 -4.2 0 2 0 16 232.78 5

Activity (Go SEA)

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