UCSF

ZINC34984488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) -1.01 5.41 -85.28 4 9 0 140 432.473 6
Hi High (pH 8-9.5) -1.01 4.37 -141.84 3 9 -1 135 431.465 6
Hi High (pH 8-9.5) -1.01 2.68 -128.19 2 9 -2 134 430.457 6
Mid Mid (pH 6-8) -1.01 3.67 -54.23 3 9 -1 139 431.465 6
Mid Mid (pH 6-8) -1.01 3.33 -68.61 5 9 1 137 433.481 6

Activity (Go SEA)

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