UCSF

ZINC37854715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.04 -2.44 -40.08 3 5 1 59 219.305 7
Hi High (pH 8-9.5) -1.04 -3.78 -4.94 2 5 0 54 218.297 7
Mid Mid (pH 6-8) -1.04 -0.18 -102.43 4 5 2 60 220.313 7

Activity (Go SEA)

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