UCSF

ZINC37506715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 21 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) 3.24 8.65 -115.14 3 3 2 30 288.435 4
Hi High (pH 8-9.5) 3.24 6.23 -43.41 2 3 1 29 287.427 4
Mid Mid (pH 6-8) 3.24 7.87 -37.95 2 3 1 26 287.427 4

Activity (Go SEA)

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