UCSF

ZINC15229516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 36 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) 5.75 15.04 -68.59 1 6 0 74 490.644 12
Hi High (pH 8-9.5) 5.75 12.72 -58.25 0 6 -1 73 489.636 12
Mid Mid (pH 6-8) 6.20 13.69 -58.16 2 6 1 71 491.652 11
Mid Mid (pH 6-8) 5.17 14.87 -56.56 1 6 1 68 491.652 12

Activity (Go SEA)

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