UCSF

ZINC25516524

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 2.97 7.66 -13.4 0 4 0 33 362.832 4
Mid Mid (pH 6-8) 2.97 9.97 -47.41 1 4 1 34 363.84 4

Activity (Go SEA)

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