UCSF

ZINC43408377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 2.32 8.04 -40.53 4 4 1 55 305.471 5
Hi High (pH 8-9.5) 2.32 5.88 -10.43 3 4 0 54 304.463 5
Mid Mid (pH 6-8) 2.32 8.37 -95.92 5 4 2 57 306.479 5

Activity (Go SEA)

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