UCSF

ZINC36783459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 1.97 6.25 -30.61 3 3 1 34 288.459 6
Hi High (pH 8-9.5) 1.97 6.69 -33.99 3 3 1 34 288.459 6
Mid Mid (pH 6-8) 1.97 4.14 -42.8 3 3 1 34 288.459 6
Mid Mid (pH 6-8) 1.97 6.02 -113 4 3 2 35 289.467 6

Activity (Go SEA)

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