UCSF

ZINC02873172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 29 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) 2.65 -1.59 -14 2 6 0 71 401.392 5
Lo Low (pH 4.5-6) 2.83 -1.53 -37.44 3 6 1 76 402.4 5

Activity (Go SEA)

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