UCSF

ZINC15769253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 6.47 9.36 -14.21 1 6 0 91 428.684 3
Hi High (pH 8-9.5) 6.92 7.37 -41.74 0 6 -1 94 427.676 3
Hi High (pH 8-9.5) 6.92 8.16 -37.58 0 6 -1 94 427.676 3

Activity (Go SEA)

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