UCSF

ZINC21598759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 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) 2.55 6.3 -32.1 1 9 0 124 473.532 7
Hi High (pH 8-9.5) 2.74 5.25 -71.29 0 9 -1 131 472.524 7

Activity (Go SEA)

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