UCSF

ZINC33811172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 5.09 11.18 -26.14 1 6 0 81 459.321 5
Hi High (pH 8-9.5) 5.15 10.27 -50.27 0 6 -1 88 458.313 5

Activity (Go SEA)

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