UCSF

ZINC20394153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 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) 5.63 10.52 -40.84 0 4 -1 49 401.298 3
Hi High (pH 8-9.5) 6.58 8.69 -51.45 0 4 -1 53 401.298 2

Activity (Go SEA)

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