UCSF

ZINC34625363

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 4.18 11.22 -6.17 1 4 0 55 371.502 9
Hi High (pH 8-9.5) 4.18 11.76 -40.12 1 4 -1 55 370.494 9

Activity (Go SEA)

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