UCSF

ZINC39761515

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 4.52 6.14 -18.32 2 7 0 97 463.291 5
Hi High (pH 8-9.5) 4.59 4.01 -58.33 1 7 -1 103 462.283 5

Activity (Go SEA)

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