UCSF

ZINC04172600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 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) 6.40 11.27 -13.01 1 5 0 48 409.574 7
Mid Mid (pH 6-8) 6.40 11.76 -21.85 2 5 1 49 410.582 7

Activity (Go SEA)

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