UCSF

ZINC24425670

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 29 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) 3.06 9.22 -22.66 1 9 0 119 416.459 6
Hi High (pH 8-9.5) 3.06 9.32 -64.61 0 9 -1 121 415.451 6

Activity (Go SEA)

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