UCSF

ZINC13788373

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 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) 5.75 8.27 -9.44 1 5 0 64 409.294 4
Ref Reference (pH 7) 5.75 8.57 -8.68 1 5 0 64 409.294 4
Hi High (pH 8-9.5) 6.20 6.6 -42.81 0 5 -1 67 408.286 4
Hi High (pH 8-9.5) 6.20 6.25 -45.11 0 5 -1 67 408.286 4

Activity (Go SEA)

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