UCSF

ZINC31846304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 25 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) 1.49 7.66 -17.35 0 6 0 63 339.395 5
Lo Low (pH 4.5-6) 1.49 8.1 -47.23 1 6 1 64 340.403 5

Activity (Go SEA)

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