UCSF

ZINC35512313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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 10.76 -13.47 0 6 0 49 420.488 3
Mid Mid (pH 6-8) 2.77 11.23 -38.52 1 6 1 50 421.496 3

Activity (Go SEA)

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