UCSF

ZINC08696878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 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) 3.94 -2.71 -11.6 1 4 0 59 304.415 5
Hi High (pH 8-9.5) 3.94 -2.13 -46.71 0 4 -1 61 303.407 5
Lo Low (pH 4.5-6) 3.94 -2.17 -31.94 2 4 1 60 305.423 5

Activity (Go SEA)

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