UCSF

ZINC18159039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 34 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) 3.20 8.6 -60.2 0 7 -1 82 461.538 10
Mid Mid (pH 6-8) 3.20 10.87 -77.06 1 7 0 83 462.546 10

Activity (Go SEA)

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