UCSF

ZINC31909478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.22 10.28 -40.64 3 4 1 48 309.437 5
Mid Mid (pH 6-8) 3.22 8.99 -11.6 2 4 0 47 308.429 5
Lo Low (pH 4.5-6) 3.22 10.7 -84.93 4 4 2 49 310.445 5

Activity (Go SEA)

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