UCSF

ZINC21486962

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 38 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) 5.27 11.56 -58.04 0 7 -1 82 519.662 10
Mid Mid (pH 6-8) 5.27 13.91 -70.28 1 7 0 83 520.67 10

Activity (Go SEA)

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