UCSF

ZINC20204976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 4.38 12.08 -38.8 1 3 1 11 392.611 7
Hi High (pH 8-9.5) 4.39 11.92 -38.28 1 3 1 11 392.611 7
Mid Mid (pH 6-8) 4.39 14.26 -92.43 2 3 2 12 393.619 7
Lo Low (pH 4.5-6) 4.38 14.27 -113.18 2 3 2 12 393.619 7

Activity (Go SEA)

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