UCSF

ZINC25447078

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 5.26 7.3 -18.14 2 7 0 97 480.011 7
Hi High (pH 8-9.5) 5.32 6.45 -96.07 0 7 -2 106 477.995 7
Mid Mid (pH 6-8) 5.26 7.37 -48.82 1 7 -1 99 479.003 7

Activity (Go SEA)

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