UCSF

ZINC36964109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) -1.13 -2.73 -47.59 4 5 1 69 202.278 5
Hi High (pH 8-9.5) -1.13 -3.13 -9.54 3 5 0 68 201.27 5
Mid Mid (pH 6-8) -1.13 -0.46 -97.11 5 5 2 70 203.286 5

Activity (Go SEA)

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