UCSF

ZINC33304725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 26 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) 3.76 7.82 -50.28 0 5 -1 75 345.378 4
Lo Low (pH 4.5-6) 3.31 9.6 -10.19 1 5 0 72 346.386 4

Activity (Go SEA)

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