UCSF

ZINC08589966

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 32 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) 3.39 9.8 -12.47 3 8 0 105 424.464 4
Lo Low (pH 4.5-6) 3.00 10.83 -45.25 3 8 0 112 424.464 3

Activity (Go SEA)

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