UCSF

ZINC44875948

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 No

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) 1.51 3.69 -42.57 5 6 1 92 285.412 7
Hi High (pH 8-9.5) 1.70 2.21 -24.17 4 6 0 98 284.404 7

Activity (Go SEA)

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