UCSF

ZINC16451114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 28 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) 5.78 11.32 -16.59 1 7 0 104 391.408 4
Mid Mid (pH 6-8) 5.29 11.17 -49.27 0 7 -1 103 390.4 5

Activity (Go SEA)

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