UCSF

ZINC12129679

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 31 No

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) 2.88 9.35 -16.3 1 7 0 88 420.444 4
Lo Low (pH 4.5-6) 2.88 9.8 -44.2 2 7 1 89 421.452 4
Lo Low (pH 4.5-6) 2.88 9.35 -17.39 1 7 0 88 420.444 4

Activity (Go SEA)

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