UCSF

ZINC25418775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.08 4.89 -43.5 3 6 1 72 306.386 5
Hi High (pH 8-9.5) 1.08 2.52 -13.59 2 6 0 71 305.378 5

Activity (Go SEA)

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