UCSF

ZINC41367551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 19 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) 1.62 6.52 -7.45 0 4 0 42 256.305 4
Lo Low (pH 4.5-6) 1.62 6.98 -36.5 1 4 1 44 257.313 4

Activity (Go SEA)

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