UCSF

ZINC04526335

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 23 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) 4.74 8.46 -10.04 1 4 0 63 368.603 2
Mid Mid (pH 6-8) 4.74 9.24 -32.59 0 4 -1 66 367.595 2

Activity (Go SEA)

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