UCSF

ZINC44866166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 0.39 -1.38 -11.68 4 7 0 100 286.376 8
Mid Mid (pH 6-8) 0.39 0.68 -51.36 5 7 1 101 287.384 8

Activity (Go SEA)

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