UCSF

ZINC37836211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.17 6.85 -58.44 0 5 -1 64 281.376 5
Mid Mid (pH 6-8) 1.17 8.98 -76.17 1 5 0 65 282.384 5
Lo Low (pH 4.5-6) 1.17 7.14 -44.08 2 5 1 62 283.392 5

Activity (Go SEA)

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