UCSF

ZINC36533251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 12 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -1.14 -1.19 -65.98 4 4 1 69 168.22 0
Mid Mid (pH 6-8) -1.33 0.3 -43.6 4 4 1 58 168.22 0

Activity (Go SEA)

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