UCSF

ZINC42915284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.18 6.49 -111.92 4 3 2 41 282.403 8
Hi High (pH 8-9.5) 2.18 4.48 -41.34 3 3 1 40 281.395 8
Mid Mid (pH 6-8) 2.18 6.2 -31.48 3 3 1 40 281.395 8

Activity (Go SEA)

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