UCSF

ZINC32120037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 3.27 9.21 -41.68 2 2 1 16 273.375 6
Hi High (pH 8-9.5) 3.27 6.91 -3.04 1 2 0 15 272.367 6
Mid Mid (pH 6-8) 3.27 8.16 -43.22 2 2 1 20 273.375 6
Lo Low (pH 4.5-6) 3.27 10.63 -133.34 3 2 2 21 274.383 6

Activity (Go SEA)

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