UCSF

ZINC35729321

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 32 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) 4.52 10.76 -16.27 2 6 0 84 446.507 7
Hi High (pH 8-9.5) 4.71 8.9 -44.26 1 6 -1 90 445.499 7

Activity (Go SEA)

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