UCSF

ZINC34981897

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 3.61 10.46 -17.01 1 8 0 83 529.732 10
Mid Mid (pH 6-8) 3.61 12.76 -50.15 2 8 1 84 530.74 10

Activity (Go SEA)

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