UCSF

ZINC49525761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 30 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) 2.08 5.34 -59.75 3 5 1 71 404.486 0
Hi High (pH 8-9.5) 2.08 3.06 -13.41 2 5 0 70 403.478 0

Activity (Go SEA)

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