UCSF

ZINC22697584

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 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) 2.18 12.23 -48.69 1 5 1 45 434.651 4
Hi High (pH 8-9.5) 2.18 10.01 -14.11 0 5 0 44 433.643 4

Activity (Go SEA)

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