UCSF

ZINC22739555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 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) 5.02 11.24 -14.63 1 7 0 86 482.565 5
Hi High (pH 8-9.5) 5.21 10.99 -51.88 0 7 -1 92 481.557 5

Activity (Go SEA)

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