UCSF

ZINC38569835

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 31 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) 0.90 4.36 -48.97 5 8 1 115 433.573 9
Hi High (pH 8-9.5) 0.90 4.06 -13.71 4 8 0 114 432.565 9
Mid Mid (pH 6-8) 1.27 -1.66 -19.02 4 8 0 121 432.565 9

Activity (Go SEA)

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