UCSF

ZINC13042364

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 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) 5.97 13.52 -6.08 1 2 0 29 343.555 7
Lo Low (pH 4.5-6) 7.09 12.4 -25.8 2 2 1 34 344.563 7

Activity (Go SEA)

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