UCSF

ZINC36228101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.80 7.35 -46.47 1 5 -1 93 287.339 6
Lo Low (pH 4.5-6) 1.80 6 -16.11 2 5 0 90 288.347 6

Activity (Go SEA)

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