UCSF

ZINC37787401

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 3.47 6.5 -4.96 1 3 0 30 223.364 4
Lo Low (pH 4.5-6) 3.47 6.63 -22.9 2 3 1 31 224.372 4

Activity (Go SEA)

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