UCSF

ZINC35870244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 26 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) 1.35 8.84 -100.57 3 8 2 87 363.462 5
Mid Mid (pH 6-8) 1.35 6.43 -47.19 2 8 1 86 362.454 5

Activity (Go SEA)

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