UCSF

ZINC19401432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 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) 1.72 4.3 -44.02 3 3 1 46 193.27 4
Hi High (pH 8-9.5) 1.72 2.91 -9.86 2 3 0 41 192.262 4

Activity (Go SEA)

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