UCSF

ZINC42681378

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 3.35 8.32 -38.96 1 2 1 8 312.275 4
Hi High (pH 8-9.5) 3.35 8.27 -35.33 1 2 1 8 312.275 4
Lo Low (pH 4.5-6) 3.35 10.56 -106.89 2 2 2 9 313.283 4

Activity (Go SEA)

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