UCSF

ZINC37777749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.94 5.3 -10.15 1 5 0 48 289.379 7
Lo Low (pH 4.5-6) 1.94 5.44 -32.62 2 5 1 50 290.387 7

Activity (Go SEA)

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