UCSF

ZINC31947287

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 0.21 1.06 -62.97 3 7 1 78 305.358 3
Hi High (pH 8-9.5) 0.21 -0.35 -17.41 2 7 0 74 304.35 3

Activity (Go SEA)

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