UCSF

ZINC08781421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 5.56 7.99 -12.46 2 5 0 74 479.172 3
Hi High (pH 8-9.5) 6.02 6.07 -47.71 1 5 -1 77 478.164 3

Activity (Go SEA)

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