UCSF

ZINC16545730

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 29 No

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) 5.92 11.58 -11.3 0 4 0 38 383.495 3
Mid Mid (pH 6-8) 5.92 13.55 -42.3 1 4 1 39 384.503 3

Activity (Go SEA)

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