UCSF

ZINC35445942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 33 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) 1.26 10.5 -50.38 1 8 1 69 454.595 3
Mid Mid (pH 6-8) 1.26 8.15 -20.42 0 8 0 67 453.587 3

Activity (Go SEA)

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