UCSF

ZINC34624368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 2.59 6.43 -52.59 2 7 -1 108 343.444 14
Lo Low (pH 4.5-6) 2.59 4.45 -15.61 3 7 0 105 344.452 14

Activity (Go SEA)

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