UCSF

ZINC37787554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 3.25 7.86 -5.69 1 3 0 30 259.397 4
Mid Mid (pH 6-8) 3.25 7.99 -24.79 2 3 1 31 260.405 4

Activity (Go SEA)

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