UCSF

ZINC36237546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 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) 5.12 10.2 -56.16 0 4 -1 57 327.791 3
Mid Mid (pH 6-8) 5.12 10.65 -44.33 1 4 0 59 328.799 3

Activity (Go SEA)

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