UCSF

ZINC23360283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 2.87 8.68 -30.58 2 7 0 101 435.6 8
Hi High (pH 8-9.5) 3.06 7.47 -54.63 1 7 -1 107 434.592 8

Activity (Go SEA)

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