UCSF

ZINC49013340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 23 No

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) 1.60 2.13 -10.41 3 6 0 87 331.294 7
Hi High (pH 8-9.5) 1.79 1.32 -43.64 2 6 -1 94 330.286 7

Activity (Go SEA)

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