UCSF

ZINC37839366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.59 7.97 -34.93 1 5 1 56 236.295 5
Hi High (pH 8-9.5) 0.15 6.36 -65.12 0 5 -1 61 234.279 4
Mid Mid (pH 6-8) -0.59 7.65 -18.86 0 5 0 55 235.287 5

Activity (Go SEA)

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