UCSF

ZINC35624544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 27 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) 2.97 10.59 -54.23 1 6 -1 91 462.326 4
Hi High (pH 8-9.5) 3.04 9.49 -105.34 0 6 -2 98 461.318 4

Activity (Go SEA)

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