UCSF

ZINC00412109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 3.53 -1.36 -13.56 2 5 0 58 337.423 4
Mid Mid (pH 6-8) 3.53 -1.18 -28.28 3 5 1 60 338.431 4

Activity (Go SEA)

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