UCSF

ZINC37832373

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.62 7.61 -54.86 1 6 0 80 251.286 6
Mid Mid (pH 6-8) -0.62 6.75 -46.21 0 6 -1 78 250.278 6
Lo Low (pH 4.5-6) -0.62 5.63 -37.7 2 6 1 77 252.294 6

Activity (Go SEA)

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