UCSF

ZINC04060468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 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) 5.03 11.42 -20.07 1 6 0 74 427.541 8
Mid Mid (pH 6-8) 5.15 0.16 -8.51 0 6 0 74 427.541 8

Activity (Go SEA)

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