UCSF

ZINC36274001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.14 5.63 -44.71 2 5 1 50 312.372 3
Hi High (pH 8-9.5) 1.14 4.29 -8.25 1 5 0 45 311.364 3
Lo Low (pH 4.5-6) 1.14 6.09 -97.49 3 5 2 51 313.38 3

Activity (Go SEA)

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