UCSF

ZINC53156581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.27 6.02 -10.36 2 3 0 41 306.768 6
Lo Low (pH 4.5-6) 3.27 7.38 -54.54 3 3 1 46 307.776 6

Activity (Go SEA)

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