UCSF

ZINC36804634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 13 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) -0.03 2.59 -27.85 2 4 1 40 184.263 5
Hi High (pH 8-9.5) -0.03 2.14 -7.34 1 4 0 39 183.255 5
Mid Mid (pH 6-8) -0.03 3.84 -99.69 3 4 2 45 185.271 5
Mid Mid (pH 6-8) -0.03 3.36 -39.53 2 4 1 44 184.263 5

Activity (Go SEA)

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