UCSF

ZINC45253370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 28 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) 5.22 15.45 -39.34 1 2 1 9 399.53 5
Mid Mid (pH 6-8) 5.22 13.34 -9.6 0 2 0 8 398.522 5

Activity (Go SEA)

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