UCSF

ZINC35258739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 3.26 8.41 -49.82 2 3 1 37 358.275 4
Hi High (pH 8-9.5) 3.26 7.22 -7.99 1 3 0 32 357.267 4

Activity (Go SEA)

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