UCSF

ZINC25447308

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 5.33 8.65 -10.05 1 4 0 55 359.52 3
Hi High (pH 8-9.5) 5.40 7.55 -46.77 0 4 -1 61 358.512 3
Mid Mid (pH 6-8) 5.33 9.04 -36.3 2 4 1 56 360.528 3

Activity (Go SEA)

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