UCSF

ZINC43915573

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.56 6.19 -105.24 3 3 2 30 252.402 8
Hi High (pH 8-9.5) 2.56 3.47 -3.09 1 3 0 24 250.386 8
Hi High (pH 8-9.5) 2.56 4.33 -37.65 2 3 1 29 251.394 8
Mid Mid (pH 6-8) 2.56 7.28 -29.37 2 3 1 26 251.394 8

Activity (Go SEA)

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