UCSF

ZINC35486085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 38 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) 5.47 11.99 -11.73 0 7 0 72 518.654 9
Mid Mid (pH 6-8) 5.47 14.25 -46.47 1 7 1 73 519.662 9

Activity (Go SEA)

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