UCSF

ZINC19264040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 2.39 7.55 -51.32 0 4 -1 60 252.334 6
Lo Low (pH 4.5-6) 2.39 6.43 -9.4 1 4 0 58 253.342 6

Activity (Go SEA)

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