UCSF

ZINC20358402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 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) 3.62 4 -11.45 1 9 0 87 530.72 5
Mid Mid (pH 6-8) 3.62 6.4 -41.64 2 9 1 88 531.728 5

Activity (Go SEA)

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