UCSF

ZINC36127096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.51 5.95 -14.26 1 6 0 73 345.424 7
Lo Low (pH 4.5-6) 2.51 6.4 -38.86 2 6 1 74 346.432 7

Activity (Go SEA)

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