UCSF

ZINC29370711

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 35 Yes

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) 4.79 9.73 -50.41 3 7 1 83 493.653 6
Hi High (pH 8-9.5) 4.79 7.33 -48.23 1 7 -1 84 491.637 6
Mid Mid (pH 6-8) 4.79 7.26 -17.01 2 7 0 82 492.645 6

Activity (Go SEA)

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