UCSF

ZINC31490050

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 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) 4.01 5.94 -48.49 3 5 1 53 454.538 7
Hi High (pH 8-9.5) 4.01 3.69 -8.87 2 5 0 52 453.53 7

Activity (Go SEA)

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