UCSF

ZINC21828068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 4.49 9.82 -24.02 1 6 0 79 443.594 7
Hi High (pH 8-9.5) 4.56 8.91 -51.9 0 6 -1 86 442.586 7

Activity (Go SEA)

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