UCSF

ZINC20685207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 26 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) 2.40 5.48 -8.61 1 6 0 62 365.518 5
Mid Mid (pH 6-8) 2.58 4.63 -37.3 2 6 1 67 366.526 5

Activity (Go SEA)

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