UCSF

ZINC43905069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.91 9.23 -113.43 3 2 2 21 234.387 6
Hi High (pH 8-9.5) 2.91 8.68 -34.57 2 2 1 20 233.379 6
Mid Mid (pH 6-8) 2.91 6.84 -31.21 2 2 1 16 233.379 6

Activity (Go SEA)

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