UCSF

ZINC37116817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.22 4.62 -41.25 3 3 1 40 261.389 2
Hi High (pH 8-9.5) 1.22 4.35 -3.21 2 3 0 38 260.381 2
Mid Mid (pH 6-8) 1.22 6.22 -35.89 3 3 1 40 261.389 2
Mid Mid (pH 6-8) 1.22 6.54 -128.27 4 3 2 41 262.397 2

Activity (Go SEA)

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