UCSF

ZINC20226713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.87 5.78 -39.99 3 2 1 31 262.204 5
Lo Low (pH 4.5-6) 2.87 6.97 -108.02 4 2 2 32 263.212 5

Activity (Go SEA)

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