UCSF

ZINC13476967

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 23 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) 6.15 10.41 -7.76 1 3 0 45 322.433 3
Mid Mid (pH 6-8) 5.66 9.87 -42.05 0 3 -1 44 321.425 4

Activity (Go SEA)

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