UCSF

ZINC09068425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 19 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) 2.43 8.09 -41.36 0 6 -1 66 254.273 3
Ref Reference (pH 7) 2.43 8.76 -14.03 1 6 0 64 255.281 3

Activity (Go SEA)

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