UCSF

ZINC08856535

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 25 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) 3.81 6.34 -45.58 0 5 -1 75 353.785 2
Lo Low (pH 4.5-6) 3.35 8.72 -9.91 1 5 0 72 354.793 2

Activity (Go SEA)

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