UCSF

ZINC08821792

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 36 No

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) 6.44 10.96 -47.22 0 7 -1 81 524.018 10
Lo Low (pH 4.5-6) 6.44 11.74 -14.96 1 7 0 79 525.026 10

Activity (Go SEA)

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