UCSF

ZINC20621897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 33 Yes

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) 3.08 10.58 -68.27 1 8 1 83 459.563 9
Hi High (pH 8-9.5) 3.08 7.68 -17.71 0 8 0 81 458.555 9
Mid Mid (pH 6-8) 3.08 9.98 -56.58 1 8 1 83 459.563 9

Activity (Go SEA)

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