UCSF

ZINC39870248

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 5.41 6.59 -9.08 2 4 0 65 324.405 2
Hi High (pH 8-9.5) 5.41 7.36 -42.02 1 4 -1 68 323.397 2
Hi High (pH 8-9.5) 4.92 7.08 -103.93 0 4 -2 67 322.389 3
Mid Mid (pH 6-8) 4.92 6.3 -46.49 1 4 -1 64 323.397 3
Lo Low (pH 4.5-6) 4.92 6.91 -15.77 2 4 0 62 324.405 3

Activity (Go SEA)

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