UCSF

ZINC20073839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 0.00 5.16 -33.29 3 3 1 34 248.394 5
Hi High (pH 8-9.5) 0.00 3.2 -47.86 3 3 1 34 248.394 5
Mid Mid (pH 6-8) 0.00 5.53 -123.74 4 3 2 35 249.402 5

Activity (Go SEA)

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