UCSF

ZINC35016809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 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) 1.86 6.18 -34.9 1 5 -1 66 343.425 6
Mid Mid (pH 6-8) 2.62 7.28 -11.68 2 5 0 60 344.433 7

Activity (Go SEA)

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