UCSF

ZINC59721150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 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) 3.67 8.15 -44.8 2 2 1 29 221.368 9
Hi High (pH 8-9.5) 3.67 6.79 -3.24 1 2 0 25 220.36 9

Activity (Go SEA)

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