UCSF

ZINC37870600

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) -1.42 -0 -43.71 5 3 1 71 165.216 2
Mid Mid (pH 6-8) -1.42 -0.32 -7.56 4 3 0 69 164.208 2

Activity (Go SEA)

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