UCSF

ZINC16690108

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 27 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) 4.65 10.79 -39.48 1 5 0 58 388.512 4
Mid Mid (pH 6-8) 4.65 10.09 -38.75 2 5 1 55 389.52 4

Activity (Go SEA)

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