UCSF

ZINC26049435

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 21 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) 3.04 8.05 -10.92 1 6 0 88 323.761 4
Hi High (pH 8-9.5) 3.10 7.12 -41.42 0 6 -1 94 322.753 4

Activity (Go SEA)

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