UCSF

ZINC36794215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.67 1.81 -12.86 2 5 0 61 326.194 3
Mid Mid (pH 6-8) 0.67 3.38 -30.19 3 5 1 66 327.202 3

Activity (Go SEA)

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