UCSF

ZINC37807566

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) 2.62 5.84 -51.4 3 3 1 48 265.352 3
Mid Mid (pH 6-8) 2.62 5.65 -11.21 2 3 0 46 264.344 3

Activity (Go SEA)

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