UCSF

ZINC35250799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) -0.45 0.71 -42.15 4 7 1 95 228.276 6
Hi High (pH 8-9.5) 0.01 -3.06 -36.27 2 7 -1 97 226.26 6
Mid Mid (pH 6-8) 0.01 -0.96 -50.68 3 7 0 98 227.268 6

Activity (Go SEA)

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