UCSF

ZINC60253160

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 13 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) 2.10 7.21 -93.64 2 2 2 9 186.343 4
Mid Mid (pH 6-8) 2.10 4.18 -32.48 1 2 1 8 185.335 4
Mid Mid (pH 6-8) 2.10 5.46 -30.99 1 2 1 8 185.335 4

Activity (Go SEA)

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