UCSF

ZINC05930058

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 30 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) 3.92 9.33 -15.01 2 6 0 65 402.498 6
Lo Low (pH 4.5-6) 3.92 10.06 -70.71 3 6 0 66 403.506 6

Activity (Go SEA)

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