UCSF

ZINC37856100

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.97 4.38 -39.79 3 3 1 40 271.469 7
Mid Mid (pH 6-8) 2.97 5.38 -29.45 3 3 1 37 271.469 7
Lo Low (pH 4.5-6) 2.97 6.5 -114.14 4 3 2 41 272.477 7

Activity (Go SEA)

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