UCSF

ZINC12129603

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 32 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) 4.36 10.76 -11.55 1 4 0 49 459.365 4
Lo Low (pH 4.5-6) 4.36 11.19 -41.45 2 4 1 50 460.373 4
Lo Low (pH 4.5-6) 4.36 10.76 -12.95 1 4 0 49 459.365 4

Activity (Go SEA)

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