UCSF

ZINC31946724

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.14 6.41 -57.87 3 5 1 66 334.465 3
Mid Mid (pH 6-8) 1.14 5.03 -11.73 2 5 0 61 333.457 3

Activity (Go SEA)

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