UCSF

ZINC41585613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 4.16 9.19 -12.91 1 6 0 70 434.467 4
Mid Mid (pH 6-8) 4.16 9.79 -44.7 0 6 -1 73 433.459 4
Mid Mid (pH 6-8) 4.16 11.46 -50.76 2 6 1 71 435.475 4
Mid Mid (pH 6-8) 4.16 12.02 -34.24 1 6 0 74 434.467 4

Activity (Go SEA)

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