UCSF

ZINC41584922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.47 11.92 -55.32 2 7 1 72 510.614 6
Hi High (pH 8-9.5) 4.47 10.2 -47.51 0 7 -1 74 508.598 6
Mid Mid (pH 6-8) 4.47 9.63 -13.91 1 7 0 71 509.606 6
Mid Mid (pH 6-8) 4.47 11.88 -53.9 2 7 1 72 510.614 6
Mid Mid (pH 6-8) 4.47 12.49 -39.63 1 7 0 75 509.606 6

Activity (Go SEA)

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