UCSF

ZINC37248727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.82 6.96 -38.52 2 2 1 16 302.211 3
Mid Mid (pH 6-8) 2.82 5.77 -47.76 2 2 1 20 302.211 3

Activity (Go SEA)

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