UCSF

ZINC21293152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 24 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) 1.05 3.53 -25.69 2 7 0 101 370.431 6
Hi High (pH 8-9.5) 1.24 2.45 -51.75 1 7 -1 107 369.423 6

Activity (Go SEA)

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