UCSF

ZINC49667761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 27 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) 1.86 4.62 -13.1 2 6 0 70 384.505 6
Lo Low (pH 4.5-6) 1.86 6.9 -50.31 3 6 1 71 385.513 6

Activity (Go SEA)

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