UCSF

ZINC35548972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 23 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) 3.64 9.43 -48.93 2 4 1 46 331.509 2
Hi High (pH 8-9.5) 3.64 8.12 -6.22 1 4 0 41 330.501 2

Activity (Go SEA)

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