UCSF

ZINC37010465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.47 5.8 -54.86 2 6 1 75 294.375 7
Hi High (pH 8-9.5) 1.47 4.58 -7.3 1 6 0 70 293.367 7
Lo Low (pH 4.5-6) 1.47 6.84 -45.16 2 6 1 72 294.375 7

Activity (Go SEA)

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