UCSF

ZINC15834478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 26 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) 4.20 8.8 -13.62 1 5 0 75 387.892 5
Lo Low (pH 4.5-6) 4.20 9.01 -45.86 2 5 1 76 388.9 5

Activity (Go SEA)

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