UCSF

ZINC28767046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 29 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) 4.07 8.64 -53.13 3 5 1 65 396.507 10
Hi High (pH 8-9.5) 4.07 7.6 -10.25 2 5 0 60 395.499 10

Activity (Go SEA)

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