UCSF

ZINC20130681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 35 No

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) 3.16 10.83 -64.36 1 10 0 129 483.521 11
Hi High (pH 8-9.5) 3.16 8.61 -51.16 0 10 -1 128 482.513 11

Activity (Go SEA)

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