UCSF

ZINC17050680

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 5.40 7 -18.76 1 6 0 84 483.036 5
Hi High (pH 8-9.5) 5.40 7.07 -54.94 0 6 -1 86 482.028 5

Activity (Go SEA)

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