UCSF

ZINC42463080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.73 4.38 -37.95 2 4 1 40 256.414 5
Hi High (pH 8-9.5) 1.73 3.18 -6.49 1 4 0 36 255.406 5
Mid Mid (pH 6-8) 1.73 6.44 -92.84 3 4 2 41 257.422 5

Activity (Go SEA)

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