UCSF

ZINC42808053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.60 3.2 -63.25 1 6 -1 96 272.302 6
Hi High (pH 8-9.5) 1.60 3 -121.17 0 6 -2 98 271.294 6

Activity (Go SEA)

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