UCSF

ZINC45973230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 29 Yes

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) 2.58 5.41 -10.67 2 6 0 71 415.921 8
Mid Mid (pH 6-8) 2.58 7.68 -50.51 3 6 1 72 416.929 8

Activity (Go SEA)

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