UCSF

ZINC36379144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 25 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) 2.57 8.59 -32.83 3 6 1 76 346.451 9
Hi High (pH 8-9.5) 2.57 6.61 -7.97 2 6 0 74 345.443 8
Mid Mid (pH 6-8) 2.57 7.59 -35.93 3 6 1 76 346.451 8

Activity (Go SEA)

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