UCSF

ZINC67740536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 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) 1.35 8.63 -36.09 1 5 1 40 268.344 2
Hi High (pH 8-9.5) 1.35 6.55 -11.32 0 5 0 38 267.336 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.