UCSF

ZINC52282059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 2.03 8.71 -42.27 3 5 1 59 264.397 4
Hi High (pH 8-9.5) 2.03 6.48 -6.19 2 5 0 58 263.389 4
Mid Mid (pH 6-8) 2.03 9.07 -93.13 4 5 2 61 265.405 4
Mid Mid (pH 6-8) 2.03 9.16 -83.72 4 5 2 61 265.405 4

Activity (Go SEA)

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