UCSF

ZINC20309350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 34 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) 3.26 11.13 -78.71 2 9 0 131 461.474 7
Hi High (pH 8-9.5) 3.26 9.44 -129.32 0 9 -2 133 459.458 7
Mid Mid (pH 6-8) 3.26 11.98 -132.5 1 9 -1 134 460.466 7

Activity (Go SEA)

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