UCSF

ZINC37996471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 0.62 4.88 -77.17 4 5 0 97 258.277 4
Hi High (pH 8-9.5) 0.62 4.5 -68.43 3 5 -1 95 257.269 4

Activity (Go SEA)

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