UCSF

ZINC20939475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 32 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) 2.79 4.46 -20.58 2 8 0 87 455.584 5
Mid Mid (pH 6-8) 2.79 6.81 -56.38 3 8 1 88 456.592 5

Activity (Go SEA)

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