UCSF

ZINC49773799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 17 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) -0.52 -1.31 -37.43 2 5 1 40 244.359 5
Mid Mid (pH 6-8) -0.52 -3.56 -4.92 1 5 0 39 243.351 5
Lo Low (pH 4.5-6) -0.52 0.95 -114.2 3 5 2 42 245.367 5

Activity (Go SEA)

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