UCSF

ZINC15085988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 31 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) 1.83 8.37 -21.98 4 9 0 128 416.441 5
Lo Low (pH 4.5-6) 2.01 8.15 -48.86 5 9 1 132 417.449 5

Activity (Go SEA)

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