UCSF

ZINC37120570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 5.35 10.78 -53.75 1 3 -1 52 347.232 5
Lo Low (pH 4.5-6) 5.35 8.81 -8.28 2 3 0 49 348.24 5

Activity (Go SEA)

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