UCSF

ZINC35811884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 23 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) 2.77 4.26 -44.28 3 5 1 62 312.393 3
Hi High (pH 8-9.5) 2.77 3.06 -5.93 2 5 0 58 311.385 3
Lo Low (pH 4.5-6) 2.77 4.74 -90.47 4 5 2 63 313.401 3

Activity (Go SEA)

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