UCSF

ZINC74923988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 22 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) 2.14 8.6 -15.97 0 3 0 33 308.303 5
Lo Low (pH 4.5-6) 2.14 9.06 -44.93 1 3 1 34 309.311 5

Activity (Go SEA)

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