UCSF

ZINC40434072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 34 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) 2.29 7.24 -43.23 4 8 1 118 482.638 7
Hi High (pH 8-9.5) 2.29 5.26 -8.32 3 8 0 117 481.63 7

Activity (Go SEA)

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