UCSF

ZINC33596041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 28 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) 2.63 7.53 -35.86 0 6 -1 83 420.272 7
Lo Low (pH 4.5-6) 2.63 6.4 -18.17 1 6 0 80 421.28 7

Activity (Go SEA)

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