UCSF

ZINC08476482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2006 19 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) 3.11 5.57 -9.65 1 4 0 59 257.289 5
Hi High (pH 8-9.5) 3.11 6.33 -53.11 0 4 -1 62 256.281 5
Mid Mid (pH 6-8) 3.11 6.43 -35.98 2 4 1 61 258.297 5

Activity (Go SEA)

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