UCSF

ZINC38789039

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 22 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) 6.90 15.82 -48.04 0 2 -1 40 299.434 9
Lo Low (pH 4.5-6) 6.90 13.84 -10.13 1 2 0 37 300.442 9

Activity (Go SEA)

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