UCSF

ZINC20329629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 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) 2.77 8.52 -44.69 1 8 1 68 455.608 2
Mid Mid (pH 6-8) 2.77 6.04 -8.06 0 8 0 67 454.6 2

Activity (Go SEA)

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