UCSF

ZINC43427644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.21 5.47 -17.24 0 4 0 47 211.261 2
Hi High (pH 8-9.5) 0.95 4.32 -52.07 0 4 -1 53 210.253 1

Activity (Go SEA)

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