UCSF

ZINC44448727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 23 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) 2.59 6.17 -10.35 0 3 0 24 340.267 4
Lo Low (pH 4.5-6) 2.59 8.22 -51.66 1 3 1 25 341.275 4

Activity (Go SEA)

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