UCSF

ZINC15940594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 4.01 10.63 -50.56 3 7 1 105 442.561 7
Hi High (pH 8-9.5) 4.01 9.77 -19.48 2 7 0 100 441.553 7

Activity (Go SEA)

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