UCSF

ZINC44264032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -1.08 3.34 -63.72 4 4 1 69 223.325 4
Hi High (pH 8-9.5) -1.08 3.04 -9.72 3 4 0 68 222.317 4
Lo Low (pH 4.5-6) -1.08 3.72 -122.06 5 4 2 70 224.333 4

Activity (Go SEA)

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