UCSF

ZINC59242947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 27 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) -0.11 10.84 -103.01 2 5 2 44 368.525 6
Hi High (pH 8-9.5) -0.11 6.35 -8.42 0 5 0 41 366.509 6
Mid Mid (pH 6-8) -0.11 8.59 -47.71 1 5 1 43 367.517 6

Activity (Go SEA)

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