UCSF

ZINC04894847

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 23 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) 4.89 7.64 -19.2 1 4 0 63 365.241 4
Hi High (pH 8-9.5) 5.35 6.8 -42.99 0 4 -1 66 364.233 4
Lo Low (pH 4.5-6) 4.89 8.08 -16.24 1 4 0 63 365.241 4

Activity (Go SEA)

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