UCSF

ZINC14245112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 19 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) 1.60 10.14 -33.28 3 6 1 72 265.385 3
Hi High (pH 8-9.5) 1.60 7.9 -6.77 2 6 0 71 264.377 3

Activity (Go SEA)

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