UCSF

ZINC20130180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 23 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) 1.13 12.86 -39.66 2 6 1 64 319.429 9
Hi High (pH 8-9.5) 1.13 10.55 -10.75 1 6 0 63 318.421 9

Activity (Go SEA)

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