UCSF

ZINC08911802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 30 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) 5.51 1.38 -11.22 0 5 0 57 417.534 8
Mid Mid (pH 6-8) 5.51 1.58 -39.39 1 5 1 58 418.542 8
Lo Low (pH 4.5-6) 5.51 1.49 -42.33 1 5 1 58 418.542 8
Lo Low (pH 4.5-6) 5.51 1.69 -109.23 2 5 2 59 419.55 8

Activity (Go SEA)

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