UCSF

ZINC13660924

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 4.29 6.39 -43.77 1 5 -1 74 353.423 5
Ref Reference (pH 7) 4.78 6.9 -10.1 2 5 0 75 354.431 4
Hi High (pH 8-9.5) 5.24 5.15 -47.29 1 5 -1 78 353.423 4

Activity (Go SEA)

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