UCSF

ZINC18333333

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) 2.38 11.89 -15.56 0 9 0 97 400.435 10
Mid Mid (pH 6-8) 2.38 12.4 -55 1 9 1 99 401.443 10

Activity (Go SEA)

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