UCSF

ZINC12420334

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 4.64 4.57 -9.39 2 5 0 75 326.377 3
Hi High (pH 8-9.5) 4.15 5.34 -98.43 0 5 -2 76 324.361 4
Hi High (pH 8-9.5) 4.64 5.35 -42.71 1 5 -1 78 325.369 3
Mid Mid (pH 6-8) 4.15 4.55 -46.17 1 5 -1 74 325.369 4

Activity (Go SEA)

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