UCSF

ZINC36855021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) -1.13 6.26 -40.74 1 6 0 82 254.286 4
Mid Mid (pH 6-8) -1.13 4.05 -48.86 0 6 -1 81 253.278 4

Activity (Go SEA)

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