UCSF

ZINC33935658

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 28 No

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) -0.93 6.1 -31.15 3 8 0 124 390.436 5
Hi High (pH 8-9.5) -0.93 5.04 -53.92 2 8 -1 119 389.428 5

Activity (Go SEA)

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