UCSF

ZINC13661053

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 5.64 6.96 -9.37 2 5 0 75 409.294 4
Ref Reference (pH 7) 5.64 7.29 -9.39 2 5 0 75 409.294 4
Hi High (pH 8-9.5) 6.10 5.51 -40.69 1 5 -1 78 408.286 4
Hi High (pH 8-9.5) 6.10 4.95 -42.9 1 5 -1 78 408.286 4

Activity (Go SEA)

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