UCSF

ZINC35337268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 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) 1.36 18.25 -99.12 3 5 2 56 428.58 9
Hi High (pH 8-9.5) 1.36 16.14 -34.27 2 5 1 55 427.572 9

Activity (Go SEA)

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