UCSF

ZINC22204558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) -1.27 -4.41 -62.15 4 6 -1 124 254.243 1
Hi High (pH 8-9.5) -1.27 -3.97 -116.66 3 6 -2 127 253.235 1

Activity (Go SEA)

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