UCSF

ZINC34933228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 3.99 11.79 -52.18 1 7 1 88 416.523 9
Hi High (pH 8-9.5) 3.99 9.33 -10.74 0 7 0 86 415.515 9

Activity (Go SEA)

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