UCSF

ZINC01051618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 28 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) 4.88 13.96 -39.85 1 5 1 48 392.552 8
Hi High (pH 8-9.5) 4.88 11.79 -11.46 0 5 0 47 391.544 8

Activity (Go SEA)

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