UCSF

ZINC20231381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 No

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 9.18 -74.89 1 7 0 83 426.444 6
Hi High (pH 8-9.5) 2.08 6.63 -57.28 0 7 -1 82 425.436 6

Activity (Go SEA)

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