UCSF

ZINC37854724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.65 -1.35 -40.63 3 5 1 59 245.343 6
Hi High (pH 8-9.5) -0.65 -2.75 -5.43 2 5 0 54 244.335 6
Mid Mid (pH 6-8) -0.65 0.97 -103.8 4 5 2 60 246.351 6

Activity (Go SEA)

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