UCSF

ZINC33247515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 4.42 7.61 -44.62 0 5 -1 75 445.236 2
Lo Low (pH 4.5-6) 3.97 9.37 -10.07 1 5 0 72 446.244 2

Activity (Go SEA)

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