UCSF

ZINC13590111

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 3.63 9.42 -9.76 1 5 0 63 373.865 5
Hi High (pH 8-9.5) 4.16 8.32 -45.55 0 5 -1 65 372.857 6

Activity (Go SEA)

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