UCSF

ZINC53498817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 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) 3.79 8.55 -4.34 1 2 0 15 240.35 6
Lo Low (pH 4.5-6) 3.79 8.99 -20.76 2 2 0 16 241.358 6

Activity (Go SEA)

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