UCSF

ZINC36381357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 27 Yes

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) 2.68 8.06 -13.39 0 6 0 57 365.433 5
Lo Low (pH 4.5-6) 2.68 10.31 -42.51 1 6 1 58 366.441 5

Activity (Go SEA)

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