UCSF

ZINC39241458

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 19 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) 3.38 7.6 -51.41 1 3 -1 60 255.293 4
Lo Low (pH 4.5-6) 3.38 5.62 -9.22 2 3 0 58 256.301 4

Activity (Go SEA)

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