UCSF

ZINC14808032

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 20 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) 3.19 5.75 -6.82 3 4 0 68 311.168 4
Lo Low (pH 4.5-6) 3.19 5.49 -34.81 4 4 1 69 312.176 4
Lo Low (pH 4.5-6) 3.19 5.59 -32.98 4 4 1 69 312.176 4

Activity (Go SEA)

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