UCSF

ZINC34436765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 19 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) 0.59 6.46 -15.28 1 7 0 90 264.285 5
Hi High (pH 8-9.5) 0.10 5.12 -40.21 0 7 -1 93 263.277 5

Activity (Go SEA)

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