UCSF

ZINC41586410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 3.80 11.17 -44.26 2 7 1 94 426.489 6
Hi High (pH 8-9.5) 3.80 9.72 -48.91 0 7 -1 96 424.473 6
Mid Mid (pH 6-8) 3.80 8.95 -12.35 1 7 0 93 425.481 6
Mid Mid (pH 6-8) 3.80 11.94 -30.42 1 7 0 97 425.481 6

Activity (Go SEA)

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