UCSF

ZINC23934833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 31 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) 2.72 7.11 -26.12 1 7 0 82 438.484 4
Lo Low (pH 4.5-6) 2.72 9.09 -79.99 2 7 1 84 439.492 4

Activity (Go SEA)

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