UCSF

ZINC08821897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 3.82 5.5 -45.49 0 8 -1 90 429.474 8
Lo Low (pH 4.5-6) 3.82 6.34 -15.93 1 8 0 88 430.482 8

Activity (Go SEA)

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