UCSF

ZINC35325000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 26 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) 3.46 5.21 -14.52 1 7 0 83 358.346 6
Hi High (pH 8-9.5) 3.46 6.22 -59.87 0 7 -1 86 357.338 6

Activity (Go SEA)

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