UCSF

ZINC35735557

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 Yes

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) 1.00 4.75 -39.45 2 4 1 52 216.301 7
Hi High (pH 8-9.5) 1.00 3.52 -4.97 1 4 0 48 215.293 7

Activity (Go SEA)

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