UCSF

ZINC15781324

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 31 Yes

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) 5.12 8.29 -15.74 1 6 0 84 456.589 6
Hi High (pH 8-9.5) 5.12 8.36 -56.3 0 6 -1 86 455.581 6

Activity (Go SEA)

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