UCSF

ZINC37806097

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.20 6.21 -45.7 3 4 1 61 271.34 5
Mid Mid (pH 6-8) -0.20 5.88 -8.67 2 4 0 59 270.332 5

Activity (Go SEA)

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