UCSF

ZINC35464522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 4.49 9.25 -45.82 2 1 1 17 264.751 3
Hi High (pH 8-9.5) 4.49 8.29 -4.11 1 1 0 12 263.743 3

Activity (Go SEA)

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