UCSF

ZINC22056073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 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) -0.18 1.28 -242.78 1 6 -3 124 281.142 4
Hi High (pH 8-9.5) -0.18 2.5 -406.19 0 6 -4 126 280.134 4
Mid Mid (pH 6-8) -0.18 0.14 -125.23 2 6 -2 121 282.15 4

Activity (Go SEA)

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