UCSF

ZINC21816684

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 2.06 7.78 -12.09 0 5 0 44 363.461 4
Mid Mid (pH 6-8) 2.06 10.36 -49.83 1 5 1 45 364.469 4
Mid Mid (pH 6-8) 2.06 10.04 -47.67 1 5 1 45 364.469 4

Activity (Go SEA)

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