UCSF

ZINC37112654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.12 6.61 -128.23 4 2 2 32 301.272 6
Mid Mid (pH 6-8) 3.12 5.13 -46.33 3 2 1 31 300.264 6
Mid Mid (pH 6-8) 3.12 7.05 -29.91 3 2 1 30 300.264 6

Activity (Go SEA)

Rings

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