UCSF

ZINC01647045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 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) 2.88 6.08 -51.99 1 3 -1 60 251.346 2
Lo Low (pH 4.5-6) 2.88 4.25 -6.25 2 3 0 58 252.354 2

Activity (Go SEA)

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