UCSF

ZINC37998560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.50 3.14 -47.28 1 5 -1 78 219.22 5
Lo Low (pH 4.5-6) 1.50 1.17 -12.26 2 5 0 75 220.228 5

Activity (Go SEA)

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