UCSF

ZINC37413502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.69 6.16 -36.14 2 4 1 46 271.425 7
Hi High (pH 8-9.5) 2.69 7.25 -32.31 2 4 1 43 271.425 7
Mid Mid (pH 6-8) 2.69 5.04 -5.2 1 4 0 42 270.417 7
Lo Low (pH 4.5-6) 2.69 8.31 -99.5 3 4 2 47 272.433 7

Activity (Go SEA)

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