UCSF

ZINC24811833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 32 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) 3.48 10.15 -55.24 3 8 1 102 456.544 10
Hi High (pH 8-9.5) 3.48 8.13 -23.24 2 8 0 101 455.536 10

Activity (Go SEA)

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