UCSF

ZINC04109570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 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) 4.32 5.43 -12.6 1 6 0 84 310.309 3
Hi High (pH 8-9.5) 4.32 5.05 -47.17 0 6 -1 87 309.301 3

Activity (Go SEA)

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