UCSF

ZINC32106717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 0.66 -0.76 -6.76 3 5 0 62 251.33 5
Mid Mid (pH 6-8) 0.66 1.62 -37.06 4 5 1 63 252.338 5

Activity (Go SEA)

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