UCSF

ZINC45693292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.94 5.93 -42.81 2 5 1 59 269.365 9
Hi High (pH 8-9.5) 1.94 4.23 -5.33 1 5 0 55 268.357 9
Mid Mid (pH 6-8) 1.94 7.63 -123.51 3 5 2 60 270.373 9
Mid Mid (pH 6-8) 1.94 7.63 -39.29 2 5 1 56 269.365 9

Activity (Go SEA)

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