UCSF

ZINC19893164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 23 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) 3.22 9.16 -12.73 1 3 0 42 341.457 4
Hi High (pH 8-9.5) 3.22 9.94 -47.3 0 3 -1 45 340.449 4

Activity (Go SEA)

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