UCSF

ZINC37803761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.24 2.93 -53.07 3 6 1 83 267.334 4
Hi High (pH 8-9.5) 0.22 -1.29 -60.76 1 6 -1 81 265.318 4
Hi High (pH 8-9.5) 0.22 0.15 -68.22 2 6 0 86 266.326 4
Hi High (pH 8-9.5) -0.24 1.48 -17.67 2 6 0 78 266.326 4

Activity (Go SEA)

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