UCSF

ZINC44018784

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) -0.07 0.95 -8.22 4 6 0 101 219.248 1
Lo Low (pH 4.5-6) -0.07 1.43 -35.09 5 6 1 102 220.256 1

Activity (Go SEA)

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