UCSF

ZINC36237941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 3.60 11.36 -47.82 2 4 1 37 371.508 3
Hi High (pH 8-9.5) 3.60 10.33 -10.33 1 4 0 33 370.5 3
Mid Mid (pH 6-8) 3.60 11.42 -80.21 3 4 2 38 372.516 3

Activity (Go SEA)

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