UCSF

ZINC15989838

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 31 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) 2.37 5.59 -46.3 1 9 -1 131 437.819 3
Mid Mid (pH 6-8) 2.19 8.01 -24.57 2 9 0 124 438.827 3

Activity (Go SEA)

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