UCSF

ZINC37818318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.38 -1.27 -59.51 5 7 1 106 281.336 1
Hi High (pH 8-9.5) -0.19 -4.14 -42.83 3 7 -1 111 279.32 1
Mid Mid (pH 6-8) -0.38 -1.5 -12.46 4 7 0 105 280.328 1

Activity (Go SEA)

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