UCSF

ZINC20202450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.70 12.29 -46.97 1 6 1 44 419.549 7
Hi High (pH 8-9.5) 3.70 9.8 -10.14 0 6 0 43 418.541 7

Activity (Go SEA)

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