UCSF

ZINC35203423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 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) -0.82 -2.29 -23.17 3 7 0 108 251.242 3
Mid Mid (pH 6-8) -0.37 -4.42 -51.69 2 7 -1 111 250.234 3

Activity (Go SEA)

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