UCSF

ZINC34883514

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 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) 6.86 16.03 -61.18 1 3 -1 41 500.59 7
Mid Mid (pH 6-8) 6.86 15.49 -13.75 1 3 0 41 501.598 7

Activity (Go SEA)

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