UCSF

ZINC39973548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 29 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) 3.21 10.57 -19.24 1 8 0 95 430.559 9
Hi High (pH 8-9.5) 3.39 9.14 -52.72 0 8 -1 101 429.551 9

Activity (Go SEA)

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