UCSF

ZINC44623521

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -2.21 4.27 -42.66 1 6 0 82 228.248 4
Hi High (pH 8-9.5) -2.21 2.34 -53.19 0 6 -1 81 227.24 4

Activity (Go SEA)

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