UCSF

ZINC37833960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.02 10.26 -45.97 1 3 1 25 309.861 5
Mid Mid (pH 6-8) 3.02 8.04 -8.46 0 3 0 24 308.853 5

Activity (Go SEA)

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