UCSF

ZINC31909348

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) 3.51 10.55 -43.7 3 4 1 48 309.437 6
Mid Mid (pH 6-8) 3.51 9.1 -11.59 2 4 0 47 308.429 6
Lo Low (pH 4.5-6) 3.51 10.97 -89.97 4 4 2 49 310.445 6

Activity (Go SEA)

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