UCSF

ZINC28973241

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 24 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) 3.36 8.03 -46.93 3 5 1 63 326.42 7
Hi High (pH 8-9.5) 3.36 6.04 -19.85 2 5 0 61 325.412 7

Activity (Go SEA)

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