UCSF

ZINC20763198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 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) 3.51 11.84 -47.26 1 7 0 89 470.525 4
Hi High (pH 8-9.5) 3.51 9.59 -58.18 0 7 -1 88 469.517 4
Mid Mid (pH 6-8) 3.51 8.96 -17.81 1 7 0 85 470.525 4
Mid Mid (pH 6-8) 3.51 11.22 -58.12 2 7 1 86 471.533 4

Activity (Go SEA)

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