UCSF

ZINC04172560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 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) 4.91 10.71 -12.7 1 5 0 48 365.477 5
Mid Mid (pH 6-8) 4.91 11.15 -29.48 2 5 1 49 366.485 5

Activity (Go SEA)

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