UCSF

ZINC40266861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 31 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) 2.54 7.31 -19.05 1 9 0 103 425.399 4
Ref Reference (pH 7) 2.35 9.94 -19.19 1 9 0 99 425.399 4

Activity (Go SEA)

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