UCSF

ZINC06146133

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 32 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) 3.51 7.31 -52.57 1 8 -1 117 480.494 9
Hi High (pH 8-9.5) 3.58 6.4 -111.49 0 8 -2 123 479.486 9
Mid Mid (pH 6-8) 3.51 7.26 -18.48 2 8 0 114 481.502 9

Activity (Go SEA)

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