UCSF

ZINC35098328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 1.75 4.44 -36.21 2 4 1 38 267.393 9
Hi High (pH 8-9.5) 1.75 4.19 -3.8 1 4 0 34 266.385 9
Mid Mid (pH 6-8) 1.75 6.5 -111.31 3 4 2 40 268.401 9
Mid Mid (pH 6-8) 1.75 6.6 -33.02 2 4 1 35 267.393 9

Activity (Go SEA)

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