UCSF

ZINC15729194

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 32 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) 4.69 6.1 -46.72 2 8 -1 120 491.38 7
Lo Low (pH 4.5-6) 4.23 7.15 -17.38 3 8 0 117 492.388 7

Activity (Go SEA)

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