UCSF

ZINC35843679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 35 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) 5.26 15.93 -41.53 2 6 1 67 517.477 12
Mid Mid (pH 6-8) 5.26 14.02 -21.19 1 6 0 66 516.469 12

Activity (Go SEA)

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