UCSF

ZINC46709481

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 32 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) 2.97 7.79 -14.21 2 8 0 110 432.48 5
Hi High (pH 8-9.5) 3.04 6.04 -51.52 1 8 -1 117 431.472 5

Activity (Go SEA)

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