UCSF

ZINC43969699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 1.95 6.52 -117.58 3 5 2 49 294.395 8
Hi High (pH 8-9.5) 1.95 4.73 -39.48 2 5 1 48 293.387 8
Mid Mid (pH 6-8) 1.95 5.31 -35.22 2 5 1 44 293.387 8

Activity (Go SEA)

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