UCSF

ZINC33768269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 1.38 6.68 -52.12 0 7 -1 92 381.408 8
Lo Low (pH 4.5-6) 1.38 5.38 -18.6 1 7 0 89 382.416 8

Activity (Go SEA)

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