UCSF

ZINC08979697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

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 -3.22 -14.17 2 6 0 83 396.447 5
Lo Low (pH 4.5-6) 2.14 -3.16 -44.26 3 6 1 85 397.455 5

Activity (Go SEA)

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