UCSF

ZINC41584745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 3.31 12.12 -58.88 2 7 1 90 459.522 3
Hi High (pH 8-9.5) 3.31 10.55 -50.21 0 7 -1 92 457.506 3
Mid Mid (pH 6-8) 3.31 9.97 -24.56 1 7 0 89 458.514 3
Mid Mid (pH 6-8) 3.31 12.7 -35.72 1 7 0 93 458.514 3

Activity (Go SEA)

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