UCSF

ZINC16482857

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 23 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) 3.35 9.53 -41.97 2 5 1 60 319.425 6
Hi High (pH 8-9.5) 3.35 7.35 -9.72 1 5 0 59 318.417 6

Activity (Go SEA)

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