UCSF

ZINC31991970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 3.40 5.9 -21.37 3 7 0 104 455.511 7
Hi High (pH 8-9.5) 3.40 5.97 -53.17 2 7 -1 106 454.503 7

Activity (Go SEA)

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