UCSF

ZINC00471847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 3.81 5.81 -7.14 0 2 0 22 257.186 3
Lo Low (pH 4.5-6) 3.81 6.52 -29.43 1 2 1 23 258.194 3

Activity (Go SEA)

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