UCSF

ZINC12605868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 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) 3.05 5.55 -16.32 2 7 0 97 445.928 8
Hi High (pH 8-9.5) 3.05 5.65 -49.29 1 7 -1 99 444.92 8
Lo Low (pH 4.5-6) 3.05 5.83 -52.42 3 7 1 99 446.936 8

Activity (Go SEA)

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