UCSF

ZINC42767537

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 0.63 5.87 -34.07 4 5 1 70 264.397 7
Hi High (pH 8-9.5) 0.63 4.16 -4.66 3 5 0 69 263.389 7
Lo Low (pH 4.5-6) 0.63 5.91 -98.44 5 5 2 72 265.405 7

Activity (Go SEA)

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