UCSF

ZINC09597725

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 31 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) 2.23 8.03 -18.59 2 7 0 103 435.505 7
Hi High (pH 8-9.5) 3.13 5.89 -52.98 1 7 -1 106 434.497 7

Activity (Go SEA)

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