UCSF

ZINC28711618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 39 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) 3.39 8.81 -21.87 3 8 0 100 532.685 12
Mid Mid (pH 6-8) 3.39 11.13 -58.9 4 8 1 101 533.693 12

Activity (Go SEA)

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