UCSF

ZINC41729288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.31 6.14 -41.55 3 3 1 45 242.346 2
Hi High (pH 8-9.5) -0.31 5.81 -7.13 2 3 0 44 241.338 2
Lo Low (pH 4.5-6) -0.31 6.59 -85.97 4 3 2 47 243.354 2

Activity (Go SEA)

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