UCSF

ZINC33526079

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 32 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) 4.28 13.45 -59.48 0 5 -1 64 425.508 7
Lo Low (pH 4.5-6) 4.28 12.15 -18.92 1 5 0 61 426.516 7

Activity (Go SEA)

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