UCSF

ZINC20413233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 34 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) 2.89 9.79 -54.9 2 7 1 66 465.618 10
Mid Mid (pH 6-8) 2.89 9.81 -52.72 2 7 1 66 465.618 10
Mid Mid (pH 6-8) 2.89 7.42 -17.36 1 7 0 65 464.61 10

Activity (Go SEA)

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