UCSF

ZINC19273161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 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) 1.56 2.71 -50.15 2 5 -1 89 222.22 4
Hi High (pH 8-9.5) 1.56 3.56 -114.95 1 5 -2 92 221.212 4

Activity (Go SEA)

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