UCSF

ZINC30831039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 25 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) 2.94 8.26 -74.13 2 6 -1 98 343.403 5
Lo Low (pH 4.5-6) 2.94 7.12 -21.72 3 6 0 95 344.411 5

Activity (Go SEA)

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