UCSF

ZINC23215436

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 23 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) 4.47 7.26 -17.14 2 4 0 62 324.405 3
Hi High (pH 8-9.5) 4.47 7.77 -116.6 0 4 -2 67 322.389 3
Mid Mid (pH 6-8) 4.47 6.98 -41.86 1 4 -1 64 323.397 3

Activity (Go SEA)

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