UCSF

ZINC18333331

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 29 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) 2.24 11.81 -16.03 0 9 0 97 400.435 9
Mid Mid (pH 6-8) 2.24 12.32 -55.14 1 9 1 99 401.443 9

Activity (Go SEA)

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