UCSF

ZINC23283480

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.40 4.61 -40.82 3 4 1 46 254.398 4
Hi High (pH 8-9.5) 1.40 5.54 -107.43 4 4 2 50 255.406 4
Mid Mid (pH 6-8) 1.40 3.25 -40.78 3 4 1 49 254.398 4

Activity (Go SEA)

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