UCSF

ZINC19996448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 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) 1.53 12.37 -56.52 2 6 1 60 395.508 6
Hi High (pH 8-9.5) 1.53 9.84 -13.47 1 6 0 59 394.5 6

Activity (Go SEA)

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