UCSF

ZINC36722732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 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) -0.28 8.35 -40.39 2 5 0 75 245.282 5
Hi High (pH 8-9.5) -0.28 7.27 -46.16 1 5 -1 70 244.274 5
Mid Mid (pH 6-8) -0.28 8.87 -69.57 3 5 1 76 246.29 5

Activity (Go SEA)

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