UCSF

ZINC36680450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 2.18 4.03 -36.21 4 4 1 74 244.318 5
Hi High (pH 8-9.5) -0.73 4.25 -13.41 4 4 0 74 243.31 5

Activity (Go SEA)

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