UCSF

ZINC35768282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 34 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) 4.66 10.76 -15.14 1 6 0 61 475.593 7
Mid Mid (pH 6-8) 4.66 12.96 -60.58 2 6 1 63 476.601 7

Activity (Go SEA)

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