UCSF

ZINC36151211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 2.81 8.67 -8.72 0 5 0 52 370.424 4
Lo Low (pH 4.5-6) 2.81 9.02 -38.36 1 5 1 53 371.432 4

Activity (Go SEA)

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