UCSF

ZINC74985446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2012 20 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) 2.96 6.67 -14.03 2 4 0 58 265.316 3
Lo Low (pH 4.5-6) 2.96 7.08 -33.81 3 4 1 59 266.324 3
Lo Low (pH 4.5-6) 2.96 6.63 -12.27 2 4 0 58 265.316 3

Activity (Go SEA)

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