UCSF

ZINC70514549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 3.82 6.7 -92.12 4 3 2 41 288.52 11
Mid Mid (pH 6-8) 3.82 6.32 -28.66 3 3 1 40 287.512 11

Activity (Go SEA)

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