UCSF

ZINC36673716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 1.17 3.47 -14.41 2 3 0 53 210.302 3
Mid Mid (pH 6-8) 1.49 3.19 -6.97 3 3 0 55 210.302 3

Activity (Go SEA)

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