UCSF

ZINC49754068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.71 8.26 -54.97 2 4 1 57 306.817 5
Mid Mid (pH 6-8) 1.71 6.01 -11.55 1 4 0 56 305.809 5

Activity (Go SEA)

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