UCSF

ZINC09409046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 35 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) 4.69 8.99 -18.25 2 8 0 97 479.577 12
Mid Mid (pH 6-8) 4.69 9.76 -58.37 1 8 -1 100 478.569 12

Activity (Go SEA)

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