UCSF

ZINC10989633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2007 23 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) 3.41 -1.3 -14.29 1 4 0 47 329.469 4
Mid Mid (pH 6-8) 3.41 -0.97 -26.24 2 4 1 48 330.477 4

Activity (Go SEA)

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