UCSF

ZINC35646918

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

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) 4.46 10.44 -16.6 1 4 0 55 312.394 3
Mid Mid (pH 6-8) 4.46 9.76 -46.98 0 4 -1 57 311.386 3

Activity (Go SEA)

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