UCSF

ZINC35111776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 30 No

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) 3.22 6.59 -17.23 0 8 0 116 435.498 3
Mid Mid (pH 6-8) 3.03 7.76 -42.39 0 8 -1 121 434.49 2

Activity (Go SEA)

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