UCSF

ZINC37806209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.04 2.16 -50.67 3 6 1 69 283.396 7
Mid Mid (pH 6-8) -0.04 4.3 -103.38 4 6 2 70 284.404 7

Activity (Go SEA)

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