UCSF

ZINC15442941

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 16 Yes

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) 2.01 6.27 -70.5 1 4 -1 69 215.232 2
Mid Mid (pH 6-8) 2.01 6.22 -36.44 2 4 0 70 216.24 2

Activity (Go SEA)

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