UCSF

ZINC20358212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.14 3.56 -10.14 1 9 0 87 484.626 4
Mid Mid (pH 6-8) 2.14 5.93 -44.13 2 9 1 88 485.634 4

Activity (Go SEA)

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