UCSF

ZINC39917401

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.06 12.66 -35.75 1 4 1 31 364.513 6
Hi High (pH 8-9.5) 5.06 11.35 -7.62 0 4 0 30 363.505 6

Activity (Go SEA)

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