UCSF

ZINC20309546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 3.04 5.49 -62.98 1 8 -1 102 516.368 7
Hi High (pH 8-9.5) 3.04 6.52 -128.65 0 8 -2 105 515.36 7
Mid Mid (pH 6-8) 3.04 7.84 -78.05 2 8 0 104 517.376 7

Activity (Go SEA)

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