UCSF

ZINC31909309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.47 8.99 -43.84 3 4 1 48 293.394 3
Mid Mid (pH 6-8) 2.47 6.44 -12.34 2 4 0 47 292.386 3
Lo Low (pH 4.5-6) 2.47 9.4 -90.3 4 4 2 49 294.402 3

Activity (Go SEA)

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