UCSF

ZINC15772213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 15 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) -2.66 5.13 -63.73 0 6 -1 93 205.149 2
Mid Mid (pH 6-8) -2.31 4.48 -55.99 1 6 0 89 206.157 2

Activity (Go SEA)

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