UCSF

ZINC36273252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 1.71 4.22 -41.83 4 7 1 86 341.391 5
Hi High (pH 8-9.5) 1.71 2.97 -13.78 3 7 0 85 340.383 5
Mid Mid (pH 6-8) 1.71 4.56 -94.16 5 7 2 88 342.399 5

Activity (Go SEA)

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