UCSF

ZINC31947291

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) 0.64 4.66 -99.74 3 6 2 54 306.41 4
Hi High (pH 8-9.5) 0.64 2.13 -51.32 2 6 1 53 305.402 4

Activity (Go SEA)

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